N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C18H19N3O2 — CID 37137994

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C)o3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-4-7-14(8-5-12)16-10-17(20-19-16)18(22)21(3)11-15-9-6-13(2)23-15/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyNXCMTUBTOVUFEA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.56
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 37137994) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID37137994
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C)o3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-4-7-14(8-5-12)16-10-17(20-19-16)18(22)21(3)11-15-9-6-13(2)23-15/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyNXCMTUBTOVUFEA-UHFFFAOYSA-N
XLogP3.56
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515544
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 118708590
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515423
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid
CID 119198521
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515649
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166327972
4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 37137994) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C)o3)[nH]n2)cc1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NXCMTUBTOVUFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-4-7-14(8-5-12)16-10-17(20-19-16)18(22)21(3)11-15-9-6-13(2)23-15/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 37137994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).