N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C17H19N5O — CID 19513078

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)n1
InChIInChI=1S/C17H19N5O/c1-3-22-9-8-14(21-22)11-18-17(23)16-10-15(19-20-16)13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyWBPKFOPYIOJCBW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds5

About N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19513078) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19513078
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)n1
InChIInChI=1S/C17H19N5O/c1-3-22-9-8-14(21-22)11-18-17(23)16-10-15(19-20-16)13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyWBPKFOPYIOJCBW-UHFFFAOYSA-N
XLogP2.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515544
N-[(1-ethylpyrazol-3-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19581507
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19296886
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19513164
N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508279
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19275127
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803693
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19282946
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508772

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 19513078) is N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is CCn1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WBPKFOPYIOJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-22-9-8-14(21-22)11-18-17(23)16-10-15(19-20-16)13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3,(H,18,23)(H,19,20).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).