(2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide

C15H25N5O2 — CID 56713690

IUPAC(2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C15H25N5O2/c1-4-17-15(22)13-7-11(16)8-20(13)14(21)6-5-12-9(2)18-19-10(12)3/h11,13H,4-8,16H2,1-3H3,(H,17,22)(H,18,19)/t11-,13+/m1/s1
InChIKeyQQPSTXNYFILQSK-YPMHNXCESA-N
MW307.40 g/mol
LogP0.02
Rot. Bonds5

About (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 56713690) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID56713690
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C15H25N5O2/c1-4-17-15(22)13-7-11(16)8-20(13)14(21)6-5-12-9(2)18-19-10(12)3/h11,13H,4-8,16H2,1-3H3,(H,17,22)(H,18,19)/t11-,13+/m1/s1
InChIKeyQQPSTXNYFILQSK-YPMHNXCESA-N
XLogP0.02
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.02
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-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide (CID 56713690) is (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is QQPSTXNYFILQSK-YPMHNXCESA-N. The full InChI is InChI=1S/C15H25N5O2/c1-4-17-15(22)13-7-11(16)8-20(13)14(21)6-5-12-9(2)18-19-10(12)3/h11,13H,4-8,16H2,1-3H3,(H,17,22)(H,18,19)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56713690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).