N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide

C20H22N4O2 — CID 91768658

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1
InChIInChI=1S/C20H22N4O2/c1-12-7-18(24(2)23-12)20(26)22-19(14-9-16(25)10-14)15-8-13-5-3-4-6-17(13)21-11-15/h3-8,11,14,16,19,25H,9-10H2,1-2H3,(H,22,26)
InChIKeyWWKWFPHGSMTOEE-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.52
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 91768658) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID91768658
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1
InChIInChI=1S/C20H22N4O2/c1-12-7-18(24(2)23-12)20(26)22-19(14-9-16(25)10-14)15-8-13-5-3-4-6-17(13)21-11-15/h3-8,11,14,16,19,25H,9-10H2,1-2H3,(H,22,26)
InChIKeyWWKWFPHGSMTOEE-UHFFFAOYSA-N
XLogP2.52
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
CID 91787352
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
CID 91763890
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
CID 91782979
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91796101
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
CID 91765727
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 91792904
3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91774940
3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide
CID 91762443
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide
CID 91771801
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
CID 91781261
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
CID 91790371

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 91768658) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WWKWFPHGSMTOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-7-18(24(2)23-12)20(26)22-19(14-9-16(25)10-14)15-8-13-5-3-4-6-17(13)21-11-15/h3-8,11,14,16,19,25H,9-10H2,1-2H3,(H,22,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 91768658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).