N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

C20H22N4O3 — CID 46983866

IUPACN-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(C(=O)NCCc2c(C)n[nH]c2C)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H22N4O3/c1-12-11-15(6-7-17(12)22-20(26)18-5-4-10-27-18)19(25)21-9-8-16-13(2)23-24-14(16)3/h4-7,10-11H,8-9H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyBTMNIHFJEYSWGX-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.15
Rot. Bonds6

About N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 46983866) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID46983866
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(C(=O)NCCc2c(C)n[nH]c2C)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H22N4O3/c1-12-11-15(6-7-17(12)22-20(26)18-5-4-10-27-18)19(25)21-9-8-16-13(2)23-24-14(16)3/h4-7,10-11H,8-9H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyBTMNIHFJEYSWGX-UHFFFAOYSA-N
XLogP3.15
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41309194
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257
N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 17274588
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 46983866) is N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1cc(C(=O)NCCc2c(C)n[nH]c2C)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is BTMNIHFJEYSWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-11-15(6-7-17(12)22-20(26)18-5-4-10-27-18)19(25)21-9-8-16-13(2)23-24-14(16)3/h4-7,10-11H,8-9H2,1-3H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 46983866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).