4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide

C12H16ClN5O — CID 125438270

IUPAC4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2n[nH]c(C)c2Cl)c1
InChIInChI=1S/C12H16ClN5O/c1-7-4-15-18(6-7)8(2)5-14-12(19)11-10(13)9(3)16-17-11/h4,6,8H,5H2,1-3H3,(H,14,19)(H,16,17)/t8-/m0/s1
InChIKeySNKCRXLZCPVLHI-QMMMGPOBSA-N
MW281.75 g/mol
LogP1.87
Rot. Bonds4

About 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide

4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 125438270) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
PubChem CID125438270
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2n[nH]c(C)c2Cl)c1
InChIInChI=1S/C12H16ClN5O/c1-7-4-15-18(6-7)8(2)5-14-12(19)11-10(13)9(3)16-17-11/h4,6,8H,5H2,1-3H3,(H,14,19)(H,16,17)/t8-/m0/s1
InChIKeySNKCRXLZCPVLHI-QMMMGPOBSA-N
XLogP1.87
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide (CID 125438270) is 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide is Cc1cnn([C@@H](C)CNC(=O)c2n[nH]c(C)c2Cl)c1.
What is the InChIKey of 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SNKCRXLZCPVLHI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-7-4-15-18(6-7)8(2)5-14-12(19)11-10(13)9(3)16-17-11/h4,6,8H,5H2,1-3H3,(H,14,19)(H,16,17)/t8-/m0/s1.
What are the key properties of 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide?
4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 281.75 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125438270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).