4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide

C12H17ClN6O — CID 122563851

IUPAC4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C12H17ClN6O/c1-4-5-19-11(14-7-16-19)8(2)17-12(20)10-9(13)6-15-18(10)3/h6-8H,4-5H2,1-3H3,(H,17,20)
InChIKeyQSDFUOMPCNGWDC-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.57
Rot. Bonds5

About 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 122563851) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
PubChem CID122563851
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C12H17ClN6O/c1-4-5-19-11(14-7-16-19)8(2)17-12(20)10-9(13)6-15-18(10)3/h6-8H,4-5H2,1-3H3,(H,17,20)
InChIKeyQSDFUOMPCNGWDC-UHFFFAOYSA-N
XLogP1.57
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
CID 124907211
3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 125175780
3-fluoro-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 125441790
5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide
CID 118772799
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 119065761
4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 95148939
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122567315
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide (CID 122563851) is 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide is CCCn1ncnc1C(C)NC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is QSDFUOMPCNGWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-4-5-19-11(14-7-16-19)8(2)17-12(20)10-9(13)6-15-18(10)3/h6-8H,4-5H2,1-3H3,(H,17,20).
What are the key properties of 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122563851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).