N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

C16H24N6O — CID 118772500

IUPACN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCc1nn(C)c(NC(=O)N2CCCC2Cn2cccn2)c1C
InChIInChI=1S/C16H24N6O/c1-4-14-12(2)15(20(3)19-14)18-16(23)22-10-5-7-13(22)11-21-9-6-8-17-21/h6,8-9,13H,4-5,7,10-11H2,1-3H3,(H,18,23)
InChIKeyKYIVVDWEPRLUIG-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.18
Rot. Bonds4

About N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 118772500) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID118772500
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCc1nn(C)c(NC(=O)N2CCCC2Cn2cccn2)c1C
InChIInChI=1S/C16H24N6O/c1-4-14-12(2)15(20(3)19-14)18-16(23)22-10-5-7-13(22)11-21-9-6-8-17-21/h6,8-9,13H,4-5,7,10-11H2,1-3H3,(H,18,23)
InChIKeyKYIVVDWEPRLUIG-UHFFFAOYSA-N
XLogP2.18
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178914
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118769035
1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95603619
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125168358
(2R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178657
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
(2S)-N-[2-(4-ethylpiperidin-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126449702

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 118772500) is N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is CCc1nn(C)c(NC(=O)N2CCCC2Cn2cccn2)c1C.
What is the InChIKey of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is KYIVVDWEPRLUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-14-12(2)15(20(3)19-14)18-16(23)22-10-5-7-13(22)11-21-9-6-8-17-21/h6,8-9,13H,4-5,7,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118772500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).