N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C19H22FN5O — CID 125177894

IUPACN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCCC3)c12
InChIInChI=1S/C19H22FN5O/c1-23-10-11-25-19(23)16(12-22-25)18(26)21-13-17(24-8-2-3-9-24)14-4-6-15(20)7-5-14/h4-7,10-12,17H,2-3,8-9,13H2,1H3,(H,21,26)/t17-/m1/s1
InChIKeyRWYUBISDVATFLI-QGZVFWFLSA-N
MW355.42 g/mol
LogP2.38
Rot. Bonds5

About N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 125177894) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID125177894
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCCC3)c12
InChIInChI=1S/C19H22FN5O/c1-23-10-11-25-19(23)16(12-22-25)18(26)21-13-17(24-8-2-3-9-24)14-4-6-15(20)7-5-14/h4-7,10-12,17H,2-3,8-9,13H2,1H3,(H,21,26)/t17-/m1/s1
InChIKeyRWYUBISDVATFLI-QGZVFWFLSA-N
XLogP2.38
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide
CID 125169507
1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea
CID 118788168
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72879927
6-amino-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 91834380
1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide
CID 46957347
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577979
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577978

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 125177894) is N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCCC3)c12.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is RWYUBISDVATFLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-23-10-11-25-19(23)16(12-22-25)18(26)21-13-17(24-8-2-3-9-24)14-4-6-15(20)7-5-14/h4-7,10-12,17H,2-3,8-9,13H2,1H3,(H,21,26)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 125177894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).