(3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C18H22ClFN4O — CID 120927276

IUPAC(3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCc3cc(F)ccc32)cn1
InChIInChI=1S/C18H21FN4O.ClH/c1-23-10-12(7-21-23)15-8-20-9-16(15)18(24)22-17-5-2-11-6-13(19)3-4-14(11)17;/h3-4,6-7,10,15-17,20H,2,5,8-9H2,1H3,(H,22,24);1H/t15-,16+,17?;/m1./s1
InChIKeyXRFCPADJIRJYAO-ADJOTLFASA-N
MW364.85 g/mol
LogP2.09
Rot. Bonds3

About (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120927276) has the molecular formula C18H22ClFN4O and a molecular weight of 364.85 g/mol. Its IUPAC name is (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120927276
Molecular FormulaC18H22ClFN4O
Molecular Weight364.85 g/mol
Exact Mass364.15
IUPAC Name(3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCc3cc(F)ccc32)cn1
InChIInChI=1S/C18H21FN4O.ClH/c1-23-10-12(7-21-23)15-8-20-9-16(15)18(24)22-17-5-2-11-6-13(19)3-4-14(11)17;/h3-4,6-7,10,15-17,20H,2,5,8-9H2,1H3,(H,22,24);1H/t15-,16+,17?;/m1./s1
InChIKeyXRFCPADJIRJYAO-ADJOTLFASA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
(3R,4S)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923728
(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936507
cis-(1S,2R)-N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95346231
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936219
(3R,4S)-N-(2-methylcyclopropyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925495
(3R,4S)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120928611
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
(3R,4S)-N-(3-methylcyclobutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933475
(3R,4S)-N-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917469
(3R,4S)-N-(2-fluoro-4-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917667

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120927276) is (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCc3cc(F)ccc32)cn1.
What is the InChIKey of (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XRFCPADJIRJYAO-ADJOTLFASA-N. The full InChI is InChI=1S/C18H21FN4O.ClH/c1-23-10-12(7-21-23)15-8-20-9-16(15)18(24)22-17-5-2-11-6-13(19)3-4-14(11)17;/h3-4,6-7,10,15-17,20H,2,5,8-9H2,1H3,(H,22,24);1H/t15-,16+,17?;/m1./s1.
What are the key properties of (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 364.85 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120927276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).