3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C13H23ClN4O — CID 119725175

IUPAC3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1nn(C)c(C)c1CNC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-11(10(2)17(4)16-9)7-15-12(18)13(3)5-6-14-8-13;/h14H,5-8H2,1-4H3,(H,15,18);1H
InChIKeyUJRLVJABXBEBAV-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.07
Rot. Bonds3

About 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride

3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119725175) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119725175
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1nn(C)c(C)c1CNC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-11(10(2)17(4)16-9)7-15-12(18)13(3)5-6-14-8-13;/h14H,5-8H2,1-4H3,(H,15,18);1H
InChIKeyUJRLVJABXBEBAV-UHFFFAOYSA-N
XLogP1.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 79231351
1-(4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 110437942
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592059
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 79036526
1-(N'-hydroxycarbamimidoyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 79234525
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236838
3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63141247
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119861848
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide
CID 167870261
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119690622

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119725175) is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1nn(C)c(C)c1CNC(=O)C1(C)CCNC1.Cl.
What is the InChIKey of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is UJRLVJABXBEBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-9-11(10(2)17(4)16-9)7-15-12(18)13(3)5-6-14-8-13;/h14H,5-8H2,1-4H3,(H,15,18);1H.
What are the key properties of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119725175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).