(2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide

C13H20N4O — CID 122567030

IUPAC(2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESC=CCN1CCC[C@H]1C(=O)NCCc1ccn[nH]1
InChIInChI=1S/C13H20N4O/c1-2-9-17-10-3-4-12(17)13(18)14-7-5-11-6-8-15-16-11/h2,6,8,12H,1,3-5,7,9-10H2,(H,14,18)(H,15,16)/t12-/m0/s1
InChIKeySCZGAPXAZXHKNC-LBPRGKRZSA-N
MW248.33 g/mol
LogP0.72
Rot. Bonds6

About (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 122567030) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID122567030
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESC=CCN1CCC[C@H]1C(=O)NCCc1ccn[nH]1
InChIInChI=1S/C13H20N4O/c1-2-9-17-10-3-4-12(17)13(18)14-7-5-11-6-8-15-16-11/h2,6,8,12H,1,3-5,7,9-10H2,(H,14,18)(H,15,16)/t12-/m0/s1
InChIKeySCZGAPXAZXHKNC-LBPRGKRZSA-N
XLogP0.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 155518699
N'-cyclopentyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)succinamide
CID 46985825
1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51104533
1-{2-[3-(1H-Pyrazol-3-YL)piperidin-1-YL]ethyl}pyrrolidin-2-one
CID 72153927
1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110256008
Thyrotropin-releasing hormone, beta-(pyrazolyl-1)-ala(2)-
CID 6443770
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]acetamide
CID 86285496
N~2~-acetyl-N~1~-methyl-N~1~-(1H-pyrazol-3-ylmethyl)norvalinamide
CID 86287249
N-methyl-N-(1H-pyrazol-3-ylmethyl)-2-pyrrolidin-1-ylbutanamide
CID 90651113
N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-pyrrolidin-1-ylbutanamide
CID 91770366
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]acetamide
CID 91840624
2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 112527694

Frequently Asked Questions

What is the IUPAC name of (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide (CID 122567030) is (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide is C=CCN1CCC[C@H]1C(=O)NCCc1ccn[nH]1.
What is the InChIKey of (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is SCZGAPXAZXHKNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-9-17-10-3-4-12(17)13(18)14-7-5-11-6-8-15-16-11/h2,6,8,12H,1,3-5,7,9-10H2,(H,14,18)(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-prop-2-enyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122567030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).