N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide

C19H22N6O — CID 129338809

IUPACN-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@H]2CCCN(c3ncnc4c(C)cccc34)C2)n1
InChIInChI=1S/C19H22N6O/c1-13-5-3-7-15-17(13)21-12-22-18(15)24-9-4-6-14(11-24)25-10-8-16(23-25)19(26)20-2/h3,5,7-8,10,12,14H,4,6,9,11H2,1-2H3,(H,20,26)/t14-/m0/s1
InChIKeyVAVWEMMYGNEERG-AWEZNQCLSA-N
MW350.43 g/mol
LogP2.34
Rot. Bonds3

About N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide

N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 129338809) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID129338809
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@H]2CCCN(c3ncnc4c(C)cccc34)C2)n1
InChIInChI=1S/C19H22N6O/c1-13-5-3-7-15-17(13)21-12-22-18(15)24-9-4-6-14(11-24)25-10-8-16(23-25)19(26)20-2/h3,5,7-8,10,12,14H,4,6,9,11H2,1-2H3,(H,20,26)/t14-/m0/s1
InChIKeyVAVWEMMYGNEERG-AWEZNQCLSA-N
XLogP2.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide (CID 129338809) is N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide is CNC(=O)c1ccn([C@H]2CCCN(c3ncnc4c(C)cccc34)C2)n1.
What is the InChIKey of N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is VAVWEMMYGNEERG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-5-3-7-15-17(13)21-12-22-18(15)24-9-4-6-14(11-24)25-10-8-16(23-25)19(26)20-2/h3,5,7-8,10,12,14H,4,6,9,11H2,1-2H3,(H,20,26)/t14-/m0/s1.
What are the key properties of N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 129338809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).