1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide

C12H17N5O — CID 113235417

IUPAC1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
SMILESCCCc1cc(NC(=O)c2cn(C)nc2C)n[nH]1
InChIInChI=1S/C12H17N5O/c1-4-5-9-6-11(15-14-9)13-12(18)10-7-17(3)16-8(10)2/h6-7H,4-5H2,1-3H3,(H2,13,14,15,18)
InChIKeyGBHGRFZZMNUXIM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.66
Rot. Bonds4

About 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide

1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide (PubChem CID 113235417) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
PubChem CID113235417
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
SMILESCCCc1cc(NC(=O)c2cn(C)nc2C)n[nH]1
InChIInChI=1S/C12H17N5O/c1-4-5-9-6-11(15-14-9)13-12(18)10-7-17(3)16-8(10)2/h6-7H,4-5H2,1-3H3,(H2,13,14,15,18)
InChIKeyGBHGRFZZMNUXIM-UHFFFAOYSA-N
XLogP1.66
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
4-chloro-6-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103803878
4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113234268
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 112690410
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide (CID 113235417) is 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide is CCCc1cc(NC(=O)c2cn(C)nc2C)n[nH]1.
What is the InChIKey of 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is GBHGRFZZMNUXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-5-9-6-11(15-14-9)13-12(18)10-7-17(3)16-8(10)2/h6-7H,4-5H2,1-3H3,(H2,13,14,15,18).
What are the key properties of 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide?
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 113235417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).