(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride

C16H24ClF2N5O2 — CID 175914963

IUPAC(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride
SMILESCl.N[C@H](C(=O)Nc1cnn(CC2CCNC2=O)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H23F2N5O2.ClH/c17-16(18)4-1-10(2-5-16)13(19)15(25)22-12-7-21-23(9-12)8-11-3-6-20-14(11)24;/h7,9-11,13H,1-6,8,19H2,(H,20,24)(H,22,25);1H/t11?,13-;/m0./s1
InChIKeyUPUMDWYCHUBWFZ-IYWIJXFJSA-N
MW391.85 g/mol
LogP1.53
Rot. Bonds5

About (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride

(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride (PubChem CID 175914963) has the molecular formula C16H24ClF2N5O2 and a molecular weight of 391.85 g/mol. Its IUPAC name is (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride
PubChem CID175914963
Molecular FormulaC16H24ClF2N5O2
Molecular Weight391.85 g/mol
Exact Mass391.16
IUPAC Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride
SMILESCl.N[C@H](C(=O)Nc1cnn(CC2CCNC2=O)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H23F2N5O2.ClH/c17-16(18)4-1-10(2-5-16)13(19)15(25)22-12-7-21-23(9-12)8-11-3-6-20-14(11)24;/h7,9-11,13H,1-6,8,19H2,(H,20,24)(H,22,25);1H/t11?,13-;/m0./s1
InChIKeyUPUMDWYCHUBWFZ-IYWIJXFJSA-N
XLogP1.53
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride (CID 175914963) is (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride is Cl.N[C@H](C(=O)Nc1cnn(CC2CCNC2=O)c1)C1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride?
The InChIKey is UPUMDWYCHUBWFZ-IYWIJXFJSA-N. The full InChI is InChI=1S/C16H23F2N5O2.ClH/c17-16(18)4-1-10(2-5-16)13(19)15(25)22-12-7-21-23(9-12)8-11-3-6-20-14(11)24;/h7,9-11,13H,1-6,8,19H2,(H,20,24)(H,22,25);1H/t11?,13-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride?
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride has a molecular weight of 391.85 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 175914963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).