N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide

C21H21N5O2 — CID 47062558

IUPACN-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1)NC1CC1
InChIInChI=1S/C21H21N5O2/c27-20(16-6-8-17(9-7-16)22-21(28)23-18-10-11-18)24-19-12-13-26(25-19)14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2,(H2,22,23,28)(H,24,25,27)
InChIKeyUMXUUSXLOUIGTA-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.47
Rot. Bonds6

About N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide

N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide (PubChem CID 47062558) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
PubChem CID47062558
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1)NC1CC1
InChIInChI=1S/C21H21N5O2/c27-20(16-6-8-17(9-7-16)22-21(28)23-18-10-11-18)24-19-12-13-26(25-19)14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2,(H2,22,23,28)(H,24,25,27)
InChIKeyUMXUUSXLOUIGTA-UHFFFAOYSA-N
XLogP3.47
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
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CID 60508760
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19285520

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide (CID 47062558) is N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide is O=C(Nc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1)NC1CC1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide?
The InChIKey is UMXUUSXLOUIGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(16-6-8-17(9-7-16)22-21(28)23-18-10-11-18)24-19-12-13-26(25-19)14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2,(H2,22,23,28)(H,24,25,27).
What are the key properties of N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide?
N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide is sourced from PubChem (CID 47062558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).