1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C15H25FN4O — CID 72871406

IUPAC1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C15H25FN4O/c1-4-20-14(7-12(19-20)5-10(2)3)15(21)18-9-13-6-11(16)8-17-13/h7,10-11,13,17H,4-6,8-9H2,1-3H3,(H,18,21)/t11-,13-/m0/s1
InChIKeyITDIGRUYFAGJCJ-AAEUAGOBSA-N
MW296.39 g/mol
LogP1.53
Rot. Bonds6

About 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 72871406) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID72871406
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC Name1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C15H25FN4O/c1-4-20-14(7-12(19-20)5-10(2)3)15(21)18-9-13-6-11(16)8-17-13/h7,10-11,13,17H,4-6,8-9H2,1-3H3,(H,18,21)/t11-,13-/m0/s1
InChIKeyITDIGRUYFAGJCJ-AAEUAGOBSA-N
XLogP1.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 72871406) is 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is ITDIGRUYFAGJCJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H25FN4O/c1-4-20-14(7-12(19-20)5-10(2)3)15(21)18-9-13-6-11(16)8-17-13/h7,10-11,13,17H,4-6,8-9H2,1-3H3,(H,18,21)/t11-,13-/m0/s1.
What are the key properties of 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 72871406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).