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

C12H19N3O2 — CID 53499972

IUPAC1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC1CCOC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)15(3)14-8)12(16)13-6-10-4-5-17-7-10/h10H,4-7H2,1-3H3,(H,13,16)
InChIKeyZNKDYQUYROBYGR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds3

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

1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 53499972) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID53499972
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC1CCOC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)15(3)14-8)12(16)13-6-10-4-5-17-7-10/h10H,4-7H2,1-3H3,(H,13,16)
InChIKeyZNKDYQUYROBYGR-UHFFFAOYSA-N
XLogP0.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 47182890
N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106123491
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
N-[(4-hydroxyoxan-4-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 79039754
1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
CID 47198130
N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71703462
N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 75446903
2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 131925877
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986084
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-(2-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119629510

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide (CID 53499972) is 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCC1CCOC1.
What is the InChIKey of 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ZNKDYQUYROBYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(9(2)15(3)14-8)12(16)13-6-10-4-5-17-7-10/h10H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53499972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).