4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide

C18H25N5O2 — CID 75434274

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C18H25N5O2/c1-10(2)9-19-17(24)14-6-7-15(11(3)8-14)20-18(25)21-16-12(4)22-23-13(16)5/h6-8,10H,9H2,1-5H3,(H,19,24)(H,22,23)(H2,20,21,25)
InChIKeyXGHQKODKIGHYHH-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.36
Rot. Bonds5

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide

4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 75434274) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID75434274
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C18H25N5O2/c1-10(2)9-19-17(24)14-6-7-15(11(3)8-14)20-18(25)21-16-12(4)22-23-13(16)5/h6-8,10H,9H2,1-5H3,(H,19,24)(H,22,23)(H2,20,21,25)
InChIKeyXGHQKODKIGHYHH-UHFFFAOYSA-N
XLogP3.36
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 122150470
N-[(2R)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266886
N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266887
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950798
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 49340244
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119760388
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide (CID 75434274) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is XGHQKODKIGHYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-10(2)9-19-17(24)14-6-7-15(11(3)8-14)20-18(25)21-16-12(4)22-23-13(16)5/h6-8,10H,9H2,1-5H3,(H,19,24)(H,22,23)(H2,20,21,25).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 75434274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).