1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide

C12H20N4O — CID 55084391

IUPAC1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC1CCCN1
InChIInChI=1S/C12H20N4O/c1-8-11(9(2)16(3)15-8)12(17)14-7-10-5-4-6-13-10/h10,13H,4-7H2,1-3H3,(H,14,17)
InChIKeyGHKXYZPNFXTHQL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.52
Rot. Bonds3

About 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 55084391) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID55084391
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC1CCCN1
InChIInChI=1S/C12H20N4O/c1-8-11(9(2)16(3)15-8)12(17)14-7-10-5-4-6-13-10/h10,13H,4-7H2,1-3H3,(H,14,17)
InChIKeyGHKXYZPNFXTHQL-UHFFFAOYSA-N
XLogP0.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119514663
N-ethyl-1,3,5-trimethyl-N-(piperidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106626233
N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106123491
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119512490
1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 53499972
1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide
CID 63757179
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876
1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
CID 102703303
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
CID 51081065

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide (CID 55084391) is 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCC1CCCN1.
What is the InChIKey of 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is GHKXYZPNFXTHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-11(9(2)16(3)15-8)12(17)14-7-10-5-4-6-13-10/h10,13H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55084391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).