(2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide

C15H21N5O2 — CID 56709916

IUPAC(2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C15H21N5O2/c1-2-17-15(21)13-7-10(16)8-20(13)9-11-3-4-14(22-11)12-5-6-18-19-12/h3-6,10,13H,2,7-9,16H2,1H3,(H,17,21)(H,18,19)/t10-,13-/m0/s1
InChIKeyQCFITTCCEDQAPS-GWCFXTLKSA-N
MW303.37 g/mol
LogP0.71
Rot. Bonds5

About (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56709916) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID56709916
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C15H21N5O2/c1-2-17-15(21)13-7-10(16)8-20(13)9-11-3-4-14(22-11)12-5-6-18-19-12/h3-6,10,13H,2,7-9,16H2,1H3,(H,17,21)(H,18,19)/t10-,13-/m0/s1
InChIKeyQCFITTCCEDQAPS-GWCFXTLKSA-N
XLogP0.71
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide (CID 56709916) is (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QCFITTCCEDQAPS-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-17-15(21)13-7-10(16)8-20(13)9-11-3-4-14(22-11)12-5-6-18-19-12/h3-6,10,13H,2,7-9,16H2,1H3,(H,17,21)(H,18,19)/t10-,13-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56709916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).