3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

C13H22N4O — CID 102779685

IUPAC3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1NCCC1C
InChIInChI=1S/C13H22N4O/c1-8-5-6-14-12(8)13(18)15-7-11-9(2)16-17(4)10(11)3/h8,12,14H,5-7H2,1-4H3,(H,15,18)
InChIKeyGXZIHIBHWAVGEF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.65
Rot. Bonds3

About 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 102779685) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID102779685
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1NCCC1C
InChIInChI=1S/C13H22N4O/c1-8-5-6-14-12(8)13(18)15-7-11-9(2)16-17(4)10(11)3/h8,12,14H,5-7H2,1-4H3,(H,15,18)
InChIKeyGXZIHIBHWAVGEF-UHFFFAOYSA-N
XLogP0.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 114255877
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
(1S,2R,3S,4R)-3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51428115
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
CID 138014959
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236647
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778414
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 102779685) is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is GXZIHIBHWAVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-5-6-14-12(8)13(18)15-7-11-9(2)16-17(4)10(11)3/h8,12,14H,5-7H2,1-4H3,(H,15,18).
What are the key properties of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.65, 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-2-carboxamide is sourced from PubChem (CID 102779685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).