4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride

C16H20ClN5O2 — CID 119292222

IUPAC4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1
InChIInChI=1S/C16H19N5O2.ClH/c17-7-11-1-3-12(4-2-11)16(23)20-14-8-18-21(9-14)10-15(22)19-13-5-6-13;/h1-4,8-9,13H,5-7,10,17H2,(H,19,22)(H,20,23);1H
InChIKeyIRYMYCYLWPPLPE-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.29
Rot. Bonds6

About 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride

4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride (PubChem CID 119292222) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
PubChem CID119292222
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1
InChIInChI=1S/C16H19N5O2.ClH/c17-7-11-1-3-12(4-2-11)16(23)20-14-8-18-21(9-14)10-15(22)19-13-5-6-13;/h1-4,8-9,13H,5-7,10,17H2,(H,19,22)(H,20,23);1H
InChIKeyIRYMYCYLWPPLPE-UHFFFAOYSA-N
XLogP1.29
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119333445
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119944643
4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
CID 62688152
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
CID 120589040
1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 52718261
4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 48952899
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride (CID 119292222) is 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride is Cl.NCc1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride?
The InChIKey is IRYMYCYLWPPLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2.ClH/c17-7-11-1-3-12(4-2-11)16(23)20-14-8-18-21(9-14)10-15(22)19-13-5-6-13;/h1-4,8-9,13H,5-7,10,17H2,(H,19,22)(H,20,23);1H.
What are the key properties of 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride?
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119292222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).