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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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).