N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C19H23N5O2 — CID 92614454

IUPACN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3cn(C)nc3C)nn2C)cc1
InChIInChI=1S/C19H23N5O2/c1-12(16-11-23(3)21-13(16)2)20-19(25)17-10-18(24(4)22-17)14-6-8-15(26-5)9-7-14/h6-12H,1-5H3,(H,20,25)/t12-/m0/s1
InChIKeyJWSGFJZTHSACSO-LBPRGKRZSA-N
MW353.43 g/mol
LogP2.63
Rot. Bonds5

About N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 92614454) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID92614454
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3cn(C)nc3C)nn2C)cc1
InChIInChI=1S/C19H23N5O2/c1-12(16-11-23(3)21-13(16)2)20-19(25)17-10-18(24(4)22-17)14-6-8-15(26-5)9-7-14/h6-12H,1-5H3,(H,20,25)/t12-/m0/s1
InChIKeyJWSGFJZTHSACSO-LBPRGKRZSA-N
XLogP2.63
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 138025561
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
CID 970380
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466850
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336333

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 92614454) is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N[C@@H](C)c3cn(C)nc3C)nn2C)cc1.
What is the InChIKey of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is JWSGFJZTHSACSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(16-11-23(3)21-13(16)2)20-19(25)17-10-18(24(4)22-17)14-6-8-15(26-5)9-7-14/h6-12H,1-5H3,(H,20,25)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 92614454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).