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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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).