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

C20H21N5O2 — CID 68520214

IUPACN-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C20H21N5O2/c1-13(2)23-19(26)15-4-3-5-18(10-15)25-20(27)24-17-8-6-14(7-9-17)16-11-21-22-12-16/h3-13H,1-2H3,(H,21,22)(H,23,26)(H2,24,25,27)
InChIKeyQHZNUKRFNISMNQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.86
Rot. Bonds5

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

N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide (PubChem CID 68520214) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
PubChem CID68520214
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C20H21N5O2/c1-13(2)23-19(26)15-4-3-5-18(10-15)25-20(27)24-17-8-6-14(7-9-17)16-11-21-22-12-16/h3-13H,1-2H3,(H,21,22)(H,23,26)(H2,24,25,27)
InChIKeyQHZNUKRFNISMNQ-UHFFFAOYSA-N
XLogP3.86
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-pyrazol-3-ylamino)-2-p-tolylphthalazin-1(2H)-one
CID 11500669
N-(4-((4-(1H-pyrazol-3-ylamino)-1-oxophthalazin-2(1H)-yl)methyl)phenyl)acetamide
CID 11689306
Rock-IN-D2
CID 45380564
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 45381162
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)-N-cyclopropylbenzamide
CID 54587245
Rock-IN-D3
CID 68520643
1-[(3-methylphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561683
1-[3-(dimethylamino)-1-phenylpropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561726
1-[(3-fluorophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562476
1-[(3-aminophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562627
1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563753

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide (CID 68520214) is N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide is CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide?
The InChIKey is QHZNUKRFNISMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(2)23-19(26)15-4-3-5-18(10-15)25-20(27)24-17-8-6-14(7-9-17)16-11-21-22-12-16/h3-13H,1-2H3,(H,21,22)(H,23,26)(H2,24,25,27).
What are the key properties of N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide?
N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 68520214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).