1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide

C17H20ClN3O2 — CID 146126301

IUPAC1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CCOC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-12-8-15(16(22)19-10-17(2)6-7-23-11-17)20-21(12)14-5-3-4-13(18)9-14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,22)
InChIKeyLDTIPGGDTCZPAA-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.99
Rot. Bonds4

About 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 146126301) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID146126301
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CCOC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-12-8-15(16(22)19-10-17(2)6-7-23-11-17)20-21(12)14-5-3-4-13(18)9-14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,22)
InChIKeyLDTIPGGDTCZPAA-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide (CID 146126301) is 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(C)CCOC2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is LDTIPGGDTCZPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-8-15(16(22)19-10-17(2)6-7-23-11-17)20-21(12)14-5-3-4-13(18)9-14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146126301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).