4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide

C19H19ClN4O2 — CID 91787352

IUPAC4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C19H19ClN4O2/c1-24-18(15(20)10-22-24)19(26)23-17(12-7-14(25)8-12)13-6-11-4-2-3-5-16(11)21-9-13/h2-6,9-10,12,14,17,25H,7-8H2,1H3,(H,23,26)
InChIKeyCYYSFFSPPSZECT-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.86
Rot. Bonds4

About 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 91787352) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
PubChem CID91787352
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C19H19ClN4O2/c1-24-18(15(20)10-22-24)19(26)23-17(12-7-14(25)8-12)13-6-11-4-2-3-5-16(11)21-9-13/h2-6,9-10,12,14,17,25H,7-8H2,1H3,(H,23,26)
InChIKeyCYYSFFSPPSZECT-UHFFFAOYSA-N
XLogP2.86
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide (CID 91787352) is 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is CYYSFFSPPSZECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-24-18(15(20)10-22-24)19(26)23-17(12-7-14(25)8-12)13-6-11-4-2-3-5-16(11)21-9-13/h2-6,9-10,12,14,17,25H,7-8H2,1H3,(H,23,26).
What are the key properties of 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 91787352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).