5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C19H23N5O2 — CID 42515322

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1
InChIInChI=1S/C19H23N5O2/c1-13-9-14(2)24(22-13)12-16-10-17(21-20-16)19(25)23(3)11-15-7-5-6-8-18(15)26-4/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyKNWDIUGTMXNXNU-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.55
Rot. Bonds6

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 42515322) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID42515322
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1
InChIInChI=1S/C19H23N5O2/c1-13-9-14(2)24(22-13)12-16-10-17(21-20-16)19(25)23(3)11-15-7-5-6-8-18(15)26-4/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyKNWDIUGTMXNXNU-UHFFFAOYSA-N
XLogP2.55
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
CID 42510788
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42519717
5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881499
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55506427
N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095
N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 60697714
5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881544
4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one
CID 56744775
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 42515322) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is COc1ccccc1CN(C)C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KNWDIUGTMXNXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-9-14(2)24(22-13)12-16-10-17(21-20-16)19(25)23(3)11-15-7-5-6-8-18(15)26-4/h5-10H,11-12H2,1-4H3,(H,20,21).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42515322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).