N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

C18H21N5O2 — CID 19515423

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3C)[nH]n2)cc1
InChIInChI=1S/C18H21N5O2/c1-12-14(10-19-23(12)3)11-22(2)18(24)17-9-16(20-21-17)13-5-7-15(25-4)8-6-13/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyBBZWEVAVQCFYKQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.40
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 19515423) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID19515423
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3C)[nH]n2)cc1
InChIInChI=1S/C18H21N5O2/c1-12-14(10-19-23(12)3)11-22(2)18(24)17-9-16(20-21-17)13-5-7-15(25-4)8-6-13/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyBBZWEVAVQCFYKQ-UHFFFAOYSA-N
XLogP2.40
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19515621
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508772
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 19456475
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19515638
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 19456504
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515649
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538
N-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515494
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37137994
2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 22196432

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 19515423) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3C)[nH]n2)cc1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is BBZWEVAVQCFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-14(10-19-23(12)3)11-22(2)18(24)17-9-16(20-21-17)13-5-7-15(25-4)8-6-13/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).