2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride

C17H23ClN4O2 — CID 120986692

IUPAC2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-11-14(18)17(22)19-10-15-13-8-5-9-16(13)21(20-15)12-6-3-2-4-7-12;/h2-4,6-7,14H,5,8-11,18H2,1H3,(H,19,22);1H
InChIKeyLANTXAGWVDPLFN-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.37
Rot. Bonds6

About 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride (PubChem CID 120986692) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride
PubChem CID120986692
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-11-14(18)17(22)19-10-15-13-8-5-9-16(13)21(20-15)12-6-3-2-4-7-12;/h2-4,6-7,14H,5,8-11,18H2,1H3,(H,19,22);1H
InChIKeyLANTXAGWVDPLFN-UHFFFAOYSA-N
XLogP1.37
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride (CID 120986692) is 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride is COCC(N)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is LANTXAGWVDPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-23-11-14(18)17(22)19-10-15-13-8-5-9-16(13)21(20-15)12-6-3-2-4-7-12;/h2-4,6-7,14H,5,8-11,18H2,1H3,(H,19,22);1H.
What are the key properties of 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120986692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).