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

C17H22N6O2 — CID 90246945

IUPACmethyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nc2c(c(Nc3cc(C)[nH]n3)n1)CCC2
InChIInChI=1S/C17H22N6O2/c1-10-9-14(22-21-10)19-15-11-5-3-6-12(11)18-17(20-15)23-8-4-7-13(23)16(24)25-2/h9,13H,3-8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyGRMAWPLRCOZYGD-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.88
Rot. Bonds4

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

methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate (PubChem CID 90246945) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
PubChem CID90246945
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Namemethyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nc2c(c(Nc3cc(C)[nH]n3)n1)CCC2
InChIInChI=1S/C17H22N6O2/c1-10-9-14(22-21-10)19-15-11-5-3-6-12(11)18-17(20-15)23-8-4-7-13(23)16(24)25-2/h9,13H,3-8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyGRMAWPLRCOZYGD-UHFFFAOYSA-N
XLogP1.88
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate (CID 90246945) is methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1nc2c(c(Nc3cc(C)[nH]n3)n1)CCC2.
What is the InChIKey of methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is GRMAWPLRCOZYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10-9-14(22-21-10)19-15-11-5-3-6-12(11)18-17(20-15)23-8-4-7-13(23)16(24)25-2/h9,13H,3-8H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate?
methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 90246945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).