1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid

C16H20N6O2 — CID 90246947

IUPAC1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(Nc2nc(N3CCCC3C(=O)O)nc3c2CCC3)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-9-8-13(21-20-9)18-14-10-4-2-5-11(10)17-16(19-14)22-7-3-6-12(22)15(23)24/h8,12H,2-7H2,1H3,(H,23,24)(H2,17,18,19,20,21)
InChIKeyGRYBCQKVYDQLMO-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid

1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 90246947) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID90246947
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(Nc2nc(N3CCCC3C(=O)O)nc3c2CCC3)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-9-8-13(21-20-9)18-14-10-4-2-5-11(10)17-16(19-14)22-7-3-6-12(22)15(23)24/h8,12H,2-7H2,1H3,(H,23,24)(H2,17,18,19,20,21)
InChIKeyGRYBCQKVYDQLMO-UHFFFAOYSA-N
XLogP1.79
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
CID 90246945
[1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 118640509
[(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 129114911
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 90259172
1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 90259016
N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 118640187
[(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 90258690
(2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 129114964
(2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 90258957
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 118915885
(2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 129114541
1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 118627799

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid (CID 90246947) is 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid is Cc1cc(Nc2nc(N3CCCC3C(=O)O)nc3c2CCC3)n[nH]1.
What is the InChIKey of 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is GRYBCQKVYDQLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-9-8-13(21-20-9)18-14-10-4-2-5-11(10)17-16(19-14)22-7-3-6-12(22)15(23)24/h8,12H,2-7H2,1H3,(H,23,24)(H2,17,18,19,20,21).
What are the key properties of 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 328.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90246947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).