2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride

C17H22ClN5O2 — CID 120589040

IUPAC2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1cnn(CC(=O)NC2CC2)c1)c1ccccc1.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-17(18,12-5-3-2-4-6-12)16(24)21-14-9-19-22(10-14)11-15(23)20-13-7-8-13;/h2-6,9-10,13H,7-8,11,18H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyJDLBNDOUVUKVBZ-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.40
Rot. Bonds6

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

2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride (PubChem CID 120589040) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
PubChem CID120589040
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1cnn(CC(=O)NC2CC2)c1)c1ccccc1.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-17(18,12-5-3-2-4-6-12)16(24)21-14-9-19-22(10-14)11-15(23)20-13-7-8-13;/h2-6,9-10,13H,7-8,11,18H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyJDLBNDOUVUKVBZ-UHFFFAOYSA-N
XLogP1.40
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
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CID 79401075
2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide
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N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide
CID 62131163
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CID 55035959
2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
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N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride (CID 120589040) is 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)Nc1cnn(CC(=O)NC2CC2)c1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride?
The InChIKey is JDLBNDOUVUKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.ClH/c1-17(18,12-5-3-2-4-6-12)16(24)21-14-9-19-22(10-14)11-15(23)20-13-7-8-13;/h2-6,9-10,13H,7-8,11,18H2,1H3,(H,20,23)(H,21,24);1H.
What are the key properties of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120589040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).