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

C13H20N6O — CID 110226023

IUPAC1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(C)n2cncn2)n(C)n1
InChIInChI=1S/C13H20N6O/c1-9(2)11-5-12(18(4)17-11)13(20)15-6-10(3)19-8-14-7-16-19/h5,7-10H,6H2,1-4H3,(H,15,20)
InChIKeyZCOUQLWIFUGWEU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.13
Rot. Bonds5

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

1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide (PubChem CID 110226023) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
PubChem CID110226023
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(C)n2cncn2)n(C)n1
InChIInChI=1S/C13H20N6O/c1-9(2)11-5-12(18(4)17-11)13(20)15-6-10(3)19-8-14-7-16-19/h5,7-10H,6H2,1-4H3,(H,15,20)
InChIKeyZCOUQLWIFUGWEU-UHFFFAOYSA-N
XLogP1.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97095637
1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide
CID 171682397
2-chloro-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 40501662
2-chloro-N-[(2R)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 40501663
3-bromo-N-[(2R)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 7445036
N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560633
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565394
1-ethyl-N-[(2R)-2-imidazol-1-ylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 97143013
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
N-[2-(1,2,4-triazol-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 110226018
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 50968447

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide (CID 110226023) is 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCC(C)n2cncn2)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide?
The InChIKey is ZCOUQLWIFUGWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9(2)11-5-12(18(4)17-11)13(20)15-6-10(3)19-8-14-7-16-19/h5,7-10H,6H2,1-4H3,(H,15,20).
What are the key properties of 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 110226023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).