[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C12H12N4O2 — CID 97066011

IUPAC[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2cccnc2c1C(=O)OC[C@@H](C)C#N
InChIInChI=1S/C12H12N4O2/c1-8(6-13)7-18-12(17)10-9(2)15-16-5-3-4-14-11(10)16/h3-5,8H,7H2,1-2H3/t8-/m0/s1
InChIKeyDUMGQAOUMHGORA-QMMMGPOBSA-N
MW244.25 g/mol
LogP1.35
Rot. Bonds3

About [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 97066011) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID97066011
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2cccnc2c1C(=O)OC[C@@H](C)C#N
InChIInChI=1S/C12H12N4O2/c1-8(6-13)7-18-12(17)10-9(2)15-16-5-3-4-14-11(10)16/h3-5,8H,7H2,1-2H3/t8-/m0/s1
InChIKeyDUMGQAOUMHGORA-QMMMGPOBSA-N
XLogP1.35
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
N-methoxy-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044923
N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111695429
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55990475
ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 165166467
ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 150498169
N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568768
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 156904498
ethyl 2-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 168899835

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 97066011) is [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is Cc1nn2cccnc2c1C(=O)OC[C@@H](C)C#N.
What is the InChIKey of [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is DUMGQAOUMHGORA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8(6-13)7-18-12(17)10-9(2)15-16-5-3-4-14-11(10)16/h3-5,8H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 97066011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).