3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide

C21H23N5O2 — CID 68567906

IUPAC3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
SMILESCc1[nH]ncc1-c1ccc(NC(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C21H23N5O2/c1-13(2)23-20(27)16-5-4-6-18(11-16)25-21(28)24-17-9-7-15(8-10-17)19-12-22-26-14(19)3/h4-13H,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyQZXCFEBJCYHVIM-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.17
Rot. Bonds5

About 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide

3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide (PubChem CID 68567906) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
PubChem CID68567906
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
SMILESCc1[nH]ncc1-c1ccc(NC(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C21H23N5O2/c1-13(2)23-20(27)16-5-4-6-18(11-16)25-21(28)24-17-9-7-15(8-10-17)19-12-22-26-14(19)3/h4-13H,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyQZXCFEBJCYHVIM-UHFFFAOYSA-N
XLogP4.17
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 71295825
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
3-[[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 71295823
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 60613400
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide (CID 68567906) is 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide is Cc1[nH]ncc1-c1ccc(NC(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1.
What is the InChIKey of 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide?
The InChIKey is QZXCFEBJCYHVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13(2)23-20(27)16-5-4-6-18(11-16)25-21(28)24-17-9-7-15(8-10-17)19-12-22-26-14(19)3/h4-13H,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28).
What are the key properties of 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide?
3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide has a molecular weight of 377.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 68567906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).