3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide

C13H14ClN7O — CID 99933087

IUPAC3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1[nH]nc(N)c1Cl)c1cn2cccnc2n1
InChIInChI=1S/C13H14ClN7O/c1-2-7(8-6-21-5-3-4-16-13(21)18-8)17-12(22)10-9(14)11(15)20-19-10/h3-7H,2H2,1H3,(H,17,22)(H3,15,19,20)/t7-/m1/s1
InChIKeyXABYAMTZZGFZOK-SSDOTTSWSA-N
MW319.76 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide (PubChem CID 99933087) has the molecular formula C13H14ClN7O and a molecular weight of 319.76 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
PubChem CID99933087
Molecular FormulaC13H14ClN7O
Molecular Weight319.76 g/mol
Exact Mass319.09
IUPAC Name3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1[nH]nc(N)c1Cl)c1cn2cccnc2n1
InChIInChI=1S/C13H14ClN7O/c1-2-7(8-6-21-5-3-4-16-13(21)18-8)17-12(22)10-9(14)11(15)20-19-10/h3-7H,2H2,1H3,(H,17,22)(H3,15,19,20)/t7-/m1/s1
InChIKeyXABYAMTZZGFZOK-SSDOTTSWSA-N
XLogP1.57
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1H-pyrazole-5-carboxamide
CID 72149716
3-chloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19415041
3-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462617
N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 138008872
N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56756107
3-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 24824684
3-[(2-chloropyrrolo[1,2-a][1,3,5]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide
CID 87220744
3-[(2-chloropyrrolo[1,2-a][1,3,5]triazin-4-yl)amino]-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 87596380
N-[(7-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 157031086
3-chloro-N-(1,5-dimethyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3461467
3-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866846
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866866

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide (CID 99933087) is 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide is CC[C@@H](NC(=O)c1[nH]nc(N)c1Cl)c1cn2cccnc2n1.
What is the InChIKey of 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XABYAMTZZGFZOK-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14ClN7O/c1-2-7(8-6-21-5-3-4-16-13(21)18-8)17-12(22)10-9(14)11(15)20-19-10/h3-7H,2H2,1H3,(H,17,22)(H3,15,19,20)/t7-/m1/s1.
What are the key properties of 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 319.76 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99933087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).