2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide

C15H19N5O — CID 66419223

IUPAC2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide
SMILESNc1ccccc1CNc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C15H19N5O/c16-14-4-2-1-3-11(14)7-17-13-8-18-20(9-13)10-15(21)19-12-5-6-12/h1-4,8-9,12,17H,5-7,10,16H2,(H,19,21)
InChIKeyUZDWMGWTGIENNK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.36
Rot. Bonds6

About 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide

2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide (PubChem CID 66419223) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide
PubChem CID66419223
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide
SMILESNc1ccccc1CNc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C15H19N5O/c16-14-4-2-1-3-11(14)7-17-13-8-18-20(9-13)10-15(21)19-12-5-6-12/h1-4,8-9,12,17H,5-7,10,16H2,(H,19,21)
InChIKeyUZDWMGWTGIENNK-UHFFFAOYSA-N
XLogP1.36
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119944643
N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide
CID 62131163
N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60931820
N-cyclopropyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760299
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
N-cyclopropyl-2-[4-[(2-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]acetamide
CID 115762221
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
CID 120589040
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 92635036
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
CID 66386042
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
CID 62688152

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide (CID 66419223) is 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide is Nc1ccccc1CNc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is UZDWMGWTGIENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-14-4-2-1-3-11(14)7-17-13-8-18-20(9-13)10-15(21)19-12-5-6-12/h1-4,8-9,12,17H,5-7,10,16H2,(H,19,21).
What are the key properties of 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide?
2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 285.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 66419223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).