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

C15H24N6O — CID 125175780

IUPAC3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@H](C)c2ncnn2CCC)c(C)n1
InChIInChI=1S/C15H24N6O/c1-5-7-20-9-13(11(3)19-20)15(22)18-12(4)14-16-10-17-21(14)8-6-2/h9-10,12H,5-8H2,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyKUGHKCCABOQPPQ-GFCCVEGCSA-N
MW304.40 g/mol
LogP2.09
Rot. Bonds7

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

3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 125175780) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID125175780
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@H](C)c2ncnn2CCC)c(C)n1
InChIInChI=1S/C15H24N6O/c1-5-7-20-9-13(11(3)19-20)15(22)18-12(4)14-16-10-17-21(14)8-6-2/h9-10,12H,5-8H2,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyKUGHKCCABOQPPQ-GFCCVEGCSA-N
XLogP2.09
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 125436634
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122567315
3-fluoro-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 125441790
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 119065761
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
CID 124907211
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 97126973
4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 95148939

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide (CID 125175780) is 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@H](C)c2ncnn2CCC)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is KUGHKCCABOQPPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N6O/c1-5-7-20-9-13(11(3)19-20)15(22)18-12(4)14-16-10-17-21(14)8-6-2/h9-10,12H,5-8H2,1-4H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide?
3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 125175780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).