N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide

C12H20N4O — CID 113433636

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2n[nH]c(C)c2C)CCNC1
InChIInChI=1S/C12H20N4O/c1-4-12(5-6-13-7-12)11(17)14-10-8(2)9(3)15-16-10/h13H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyBSJQCMCDUFOUJI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.35
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 113433636) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID113433636
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2n[nH]c(C)c2C)CCNC1
InChIInChI=1S/C12H20N4O/c1-4-12(5-6-13-7-12)11(17)14-10-8(2)9(3)15-16-10/h13H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyBSJQCMCDUFOUJI-UHFFFAOYSA-N
XLogP1.35
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-ethylpiperidine-4-carboxamide
CID 104618838
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 113433645
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpiperidine-3-carboxamide
CID 104618888
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65487379
3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63141247
3-ethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-3-carboxamide
CID 113433541
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140977
3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 63139414
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 63138876
N-tert-butyl-3-ethylpyrrolidine-3-carboxamide
CID 63140815
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 79734509
3-ethyl-N-(1,2-oxazol-4-yl)pyrrolidine-3-carboxamide
CID 63142572

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide (CID 113433636) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2n[nH]c(C)c2C)CCNC1.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is BSJQCMCDUFOUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-12(5-6-13-7-12)11(17)14-10-8(2)9(3)15-16-10/h13H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113433636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).