4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

C15H19ClN4O2 — CID 164637456

IUPAC4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC[C@@H](CO)N(Cc1cccnc1)C(=O)c1n[nH]c(C)c1Cl
InChIInChI=1S/C15H19ClN4O2/c1-3-12(9-21)20(8-11-5-4-6-17-7-11)15(22)14-13(16)10(2)18-19-14/h4-7,12,21H,3,8-9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyNURPRHZCYSTGSZ-LBPRGKRZSA-N
MW322.80 g/mol
LogP2.18
Rot. Bonds6

About 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 164637456) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID164637456
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC[C@@H](CO)N(Cc1cccnc1)C(=O)c1n[nH]c(C)c1Cl
InChIInChI=1S/C15H19ClN4O2/c1-3-12(9-21)20(8-11-5-4-6-17-7-11)15(22)14-13(16)10(2)18-19-14/h4-7,12,21H,3,8-9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyNURPRHZCYSTGSZ-LBPRGKRZSA-N
XLogP2.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 46997556
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 95225196
N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46986681
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 119063045
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 50980220
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 164636404
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 65357815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 164637456) is 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is CC[C@@H](CO)N(Cc1cccnc1)C(=O)c1n[nH]c(C)c1Cl.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NURPRHZCYSTGSZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-3-12(9-21)20(8-11-5-4-6-17-7-11)15(22)14-13(16)10(2)18-19-14/h4-7,12,21H,3,8-9H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 322.80 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164637456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).