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

C18H31N5O — CID 126449702

IUPAC(2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCC1CCN(CCNC(=O)N2CCC[C@H]2Cn2cccn2)CC1
InChIInChI=1S/C18H31N5O/c1-2-16-6-12-21(13-7-16)14-9-19-18(24)23-11-3-5-17(23)15-22-10-4-8-20-22/h4,8,10,16-17H,2-3,5-7,9,11-15H2,1H3,(H,19,24)/t17-/m0/s1
InChIKeyFODQJNSAOKLUDS-KRWDZBQOSA-N
MW333.48 g/mol
LogP2.18
Rot. Bonds6

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

(2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126449702) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID126449702
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name(2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCC1CCN(CCNC(=O)N2CCC[C@H]2Cn2cccn2)CC1
InChIInChI=1S/C18H31N5O/c1-2-16-6-12-21(13-7-16)14-9-19-18(24)23-11-3-5-17(23)15-22-10-4-8-20-22/h4,8,10,16-17H,2-3,5-7,9,11-15H2,1H3,(H,19,24)/t17-/m0/s1
InChIKeyFODQJNSAOKLUDS-KRWDZBQOSA-N
XLogP2.18
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126425791
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126434676
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126429505
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118772500
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
[(2R)-1-propylpyrrolidin-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129461598
(2R)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95603680
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 126449702) is (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is CCC1CCN(CCNC(=O)N2CCC[C@H]2Cn2cccn2)CC1.
What is the InChIKey of (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is FODQJNSAOKLUDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H31N5O/c1-2-16-6-12-21(13-7-16)14-9-19-18(24)23-11-3-5-17(23)15-22-10-4-8-20-22/h4,8,10,16-17H,2-3,5-7,9,11-15H2,1H3,(H,19,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
(2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126449702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).