4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide

C17H17N5O — CID 16738872

IUPAC4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
SMILESNCc1ccc(C(=O)Nc2nn(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C17H17N5O/c18-10-12-6-8-13(9-7-12)17(23)20-16-15(19)11-22(21-16)14-4-2-1-3-5-14/h1-9,11H,10,18-19H2,(H,20,21,23)
InChIKeyRVVGEJWTQWRONX-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.17
Rot. Bonds4

About 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide

4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide (PubChem CID 16738872) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
PubChem CID16738872
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
SMILESNCc1ccc(C(=O)Nc2nn(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C17H17N5O/c18-10-12-6-8-13(9-7-12)17(23)20-16-15(19)11-22(21-16)14-4-2-1-3-5-14/h1-9,11H,10,18-19H2,(H,20,21,23)
InChIKeyRVVGEJWTQWRONX-UHFFFAOYSA-N
XLogP2.17
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 16739102
N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
CID 25012332
[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
CID 71134013
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid
CID 71133855
[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 67406525
4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 24753674
2-[4-[(4-amino-1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2-(1,3-benzoxazol-2-yl)propanoic acid
CID 67406523
[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
CID 69052738
N-(4-amino-1-phenylpyrazol-3-yl)formamide
CID 87950545
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
pyridin-3-ylmethyl N-[[4-[[4-amino-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]methyl]carbamate
CID 16738904

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide (CID 16738872) is 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide is NCc1ccc(C(=O)Nc2nn(-c3ccccc3)cc2N)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide?
The InChIKey is RVVGEJWTQWRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-10-12-6-8-13(9-7-12)17(23)20-16-15(19)11-22(21-16)14-4-2-1-3-5-14/h1-9,11H,10,18-19H2,(H,20,21,23).
What are the key properties of 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide?
4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 16738872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).