N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

C14H18N4O — CID 47245198

IUPACN-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2cccnc2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-10(2)12-7-13(17-16-12)14(19)18(3)9-11-5-4-6-15-8-11/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyNHWVNJWIZMXRPQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.20
Rot. Bonds4

About N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 47245198) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID47245198
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2cccnc2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-10(2)12-7-13(17-16-12)14(19)18(3)9-11-5-4-6-15-8-11/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyNHWVNJWIZMXRPQ-UHFFFAOYSA-N
XLogP2.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 110835367
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472
4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62168228
N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 47112744
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43643792
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 43563869

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 47245198) is N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)Cc2cccnc2)n[nH]1.
What is the InChIKey of N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NHWVNJWIZMXRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)12-7-13(17-16-12)14(19)18(3)9-11-5-4-6-15-8-11/h4-8,10H,9H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47245198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).