N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide

C17H22N4O — CID 75501481

IUPACN-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)N(CC2CC2)c2cccnc2)cn1
InChIInChI=1S/C17H22N4O/c1-13(2)10-20-12-15(8-19-20)17(22)21(11-14-5-6-14)16-4-3-7-18-9-16/h3-4,7-9,12-14H,5-6,10-11H2,1-2H3
InChIKeyQLNKXBLUEMVYDE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.99
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide

N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 75501481) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID75501481
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)N(CC2CC2)c2cccnc2)cn1
InChIInChI=1S/C17H22N4O/c1-13(2)10-20-12-15(8-19-20)17(22)21(11-14-5-6-14)16-4-3-7-18-9-16/h3-4,7-9,12-14H,5-6,10-11H2,1-2H3
InChIKeyQLNKXBLUEMVYDE-UHFFFAOYSA-N
XLogP2.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 154837772
N-(cyclopropylmethyl)-2-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 75383418
6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide
CID 99637493
N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 91662527
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 99608516
1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
CID 30845448
trans-(1R,2R)-2-[1-(2-methylpropyl)pyrazole-4-carbonyl]cyclopropane-1-carboxylic acid
CID 99993401
2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 122192591
N-(cyclopropylmethyl)-2-[(2R)-oxolan-2-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 97078479
1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255887
N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 99637473

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide (CID 75501481) is N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide is CC(C)Cn1cc(C(=O)N(CC2CC2)c2cccnc2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is QLNKXBLUEMVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(2)10-20-12-15(8-19-20)17(22)21(11-14-5-6-14)16-4-3-7-18-9-16/h3-4,7-9,12-14H,5-6,10-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide?
N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 75501481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).