(2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide

C17H20FN5O2 — CID 56701828

IUPAC(2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C17H20FN5O2/c1-2-20-16(24)14-7-12(19)9-23(14)17(25)13-8-21-22-15(13)10-4-3-5-11(18)6-10/h3-6,8,12,14H,2,7,9,19H2,1H3,(H,20,24)(H,21,22)/t12-,14+/m1/s1
InChIKeyKPAVPXKEDRZBBP-OCCSQVGLSA-N
MW345.38 g/mol
LogP0.89
Rot. Bonds4

About (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 56701828) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID56701828
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name(2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C17H20FN5O2/c1-2-20-16(24)14-7-12(19)9-23(14)17(25)13-8-21-22-15(13)10-4-3-5-11(18)6-10/h3-6,8,12,14H,2,7,9,19H2,1H3,(H,20,24)(H,21,22)/t12-,14+/m1/s1
InChIKeyKPAVPXKEDRZBBP-OCCSQVGLSA-N
XLogP0.89
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide (CID 56701828) is (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is KPAVPXKEDRZBBP-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-2-20-16(24)14-7-12(19)9-23(14)17(25)13-8-21-22-15(13)10-4-3-5-11(18)6-10/h3-6,8,12,14H,2,7,9,19H2,1H3,(H,20,24)(H,21,22)/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56701828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).