5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide

C19H20N4O2 — CID 108788877

IUPAC5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C19H20N4O2/c1-13-16(19(24)20-11-15-6-4-10-25-15)12-21-23(13)18-9-8-14-5-2-3-7-17(14)22-18/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,20,24)
InChIKeyFOLQJCYEGWOVFW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.64
Rot. Bonds4

About 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide

5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108788877) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108788877
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C19H20N4O2/c1-13-16(19(24)20-11-15-6-4-10-25-15)12-21-23(13)18-9-8-14-5-2-3-7-17(14)22-18/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,20,24)
InChIKeyFOLQJCYEGWOVFW-UHFFFAOYSA-N
XLogP2.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 95104450
1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 156601815
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788833
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 94237851
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46634730
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801774

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108788877) is 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NCC2CCCO2)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is FOLQJCYEGWOVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-16(19(24)20-11-15-6-4-10-25-15)12-21-23(13)18-9-8-14-5-2-3-7-17(14)22-18/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,20,24).
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide?
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108788877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).