(2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride

C16H19Cl2FN4O2 — CID 120792795

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)O1
InChIInChI=1S/C16H18ClFN4O2.ClH/c17-12-3-1-10(7-13(12)18)9-22-15(5-6-20-22)21-16(23)14-4-2-11(8-19)24-14;/h1,3,5-7,11,14H,2,4,8-9,19H2,(H,21,23);1H/t11-,14+;/m1./s1
InChIKeyNXTXVKPACZZNJO-GGMFNZDASA-N
MW389.26 g/mol
LogP2.59
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120792795) has the molecular formula C16H19Cl2FN4O2 and a molecular weight of 389.26 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
PubChem CID120792795
Molecular FormulaC16H19Cl2FN4O2
Molecular Weight389.26 g/mol
Exact Mass388.09
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)O1
InChIInChI=1S/C16H18ClFN4O2.ClH/c17-12-3-1-10(7-13(12)18)9-22-15(5-6-20-22)21-16(23)14-4-2-11(8-19)24-14;/h1,3,5-7,11,14H,2,4,8-9,19H2,(H,21,23);1H/t11-,14+;/m1./s1
InChIKeyNXTXVKPACZZNJO-GGMFNZDASA-N
XLogP2.59
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
CID 120788298
(2S,5R)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786045
trans-(1R,2R)-2-[[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 138003056
(2S,4S)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632019
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119780523
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
CID 119321823
(2S,5R)-5-(aminomethyl)-N-(2,4,5-trifluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786075
5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 83167410
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938989
(2S,5R)-5-(aminomethyl)-N-(2,4-difluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120782929
(2S,5R)-5-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 120783138
(2S,5R)-5-(aminomethyl)-N-(3,5-difluoro-4-iodophenyl)oxolane-2-carboxamide;hydrochloride
CID 120791203

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride (CID 120792795) is (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is NXTXVKPACZZNJO-GGMFNZDASA-N. The full InChI is InChI=1S/C16H18ClFN4O2.ClH/c17-12-3-1-10(7-13(12)18)9-22-15(5-6-20-22)21-16(23)14-4-2-11(8-19)24-14;/h1,3,5-7,11,14H,2,4,8-9,19H2,(H,21,23);1H/t11-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 389.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120792795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).