4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C21H21N5O2 — CID 55838098

IUPAC4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESO=C(Nc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1)NC1CC1
InChIInChI=1S/C21H21N5O2/c27-20(16-4-6-17(7-5-16)24-21(28)25-18-8-9-18)22-14-15-2-10-19(11-3-15)26-13-1-12-23-26/h1-7,10-13,18H,8-9,14H2,(H,22,27)(H2,24,25,28)
InChIKeyMXQXQOUHWFWNOU-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.09
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 55838098) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID55838098
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESO=C(Nc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1)NC1CC1
InChIInChI=1S/C21H21N5O2/c27-20(16-4-6-17(7-5-16)24-21(28)25-18-8-9-18)22-14-15-2-10-19(11-3-15)26-13-1-12-23-26/h1-7,10-13,18H,8-9,14H2,(H,22,27)(H2,24,25,28)
InChIKeyMXQXQOUHWFWNOU-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
CID 158896039
4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 31974410
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
CID 42485205
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 55847521
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55711340
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 55838098) is 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is O=C(Nc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1)NC1CC1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is MXQXQOUHWFWNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(16-4-6-17(7-5-16)24-21(28)25-18-8-9-18)22-14-15-2-10-19(11-3-15)26-13-1-12-23-26/h1-7,10-13,18H,8-9,14H2,(H,22,27)(H2,24,25,28).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55838098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).