2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C12H17ClN6O — CID 125171072

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc([C@@H](C)NC(=O)Cn2nc(C)c(Cl)c2C)n[nH]1
InChIInChI=1S/C12H17ClN6O/c1-6-11(13)8(3)19(18-6)5-10(20)14-7(2)12-15-9(4)16-17-12/h7H,5H2,1-4H3,(H,14,20)(H,15,16,17)/t7-/m1/s1
InChIKeyLECWNLULPNZZFJ-SSDOTTSWSA-N
MW296.76 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 125171072) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID125171072
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc([C@@H](C)NC(=O)Cn2nc(C)c(Cl)c2C)n[nH]1
InChIInChI=1S/C12H17ClN6O/c1-6-11(13)8(3)19(18-6)5-10(20)14-7(2)12-15-9(4)16-17-12/h7H,5H2,1-4H3,(H,14,20)(H,15,16,17)/t7-/m1/s1
InChIKeyLECWNLULPNZZFJ-SSDOTTSWSA-N
XLogP1.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213
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CID 7348161
2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 86285985
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460706
2-(3-cyano-2-methylindol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95203720
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91773530
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
CID 119384557
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279440
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 749103
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide
CID 131951204
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281020
N-[(2S)-butan-2-yl]-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749073

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 125171072) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1nc([C@@H](C)NC(=O)Cn2nc(C)c(Cl)c2C)n[nH]1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is LECWNLULPNZZFJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-6-11(13)8(3)19(18-6)5-10(20)14-7(2)12-15-9(4)16-17-12/h7H,5H2,1-4H3,(H,14,20)(H,15,16,17)/t7-/m1/s1.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 296.76 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 125171072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).