(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C10H16N4O — CID 106212913

IUPAC(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCN1)c1cn[nH]c1
InChIInChI=1S/C10H16N4O/c1-7(8-5-12-13-6-8)14-10(15)9-3-2-4-11-9/h5-7,9,11H,2-4H2,1H3,(H,12,13)(H,14,15)/t7?,9-/m0/s1
InChIKeyRIXKZSPTIYNRCZ-NETXQHHPSA-N
MW208.26 g/mol
LogP0.34
Rot. Bonds3

About (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 106212913) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID106212913
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCN1)c1cn[nH]c1
InChIInChI=1S/C10H16N4O/c1-7(8-5-12-13-6-8)14-10(15)9-3-2-4-11-9/h5-7,9,11H,2-4H2,1H3,(H,12,13)(H,14,15)/t7?,9-/m0/s1
InChIKeyRIXKZSPTIYNRCZ-NETXQHHPSA-N
XLogP0.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]piperazine-2-carboxamide
CID 114158960
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 106212913) is (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)[C@@H]1CCCN1)c1cn[nH]c1.
What is the InChIKey of (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is RIXKZSPTIYNRCZ-NETXQHHPSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(8-5-12-13-6-8)14-10(15)9-3-2-4-11-9/h5-7,9,11H,2-4H2,1H3,(H,12,13)(H,14,15)/t7?,9-/m0/s1.
What are the key properties of (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106212913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).