N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide

C19H27N5O — CID 71967691

IUPACN-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide
SMILESCc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C19H27N5O/c1-14-12-17(22(3)4)13-15(2)18(14)21-19(25)23-10-6-16(7-11-23)24-9-5-8-20-24/h5,8-9,12-13,16H,6-7,10-11H2,1-4H3,(H,21,25)
InChIKeyWCAXIAZBHAURTR-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.43
Rot. Bonds3

About N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide

N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide (PubChem CID 71967691) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide
PubChem CID71967691
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide
SMILESCc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C19H27N5O/c1-14-12-17(22(3)4)13-15(2)18(14)21-19(25)23-10-6-16(7-11-23)24-9-5-8-20-24/h5,8-9,12-13,16H,6-7,10-11H2,1-4H3,(H,21,25)
InChIKeyWCAXIAZBHAURTR-UHFFFAOYSA-N
XLogP3.43
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide (CID 71967691) is N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide is Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide?
The InChIKey is WCAXIAZBHAURTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-12-17(22(3)4)13-15(2)18(14)21-19(25)23-10-6-16(7-11-23)24-9-5-8-20-24/h5,8-9,12-13,16H,6-7,10-11H2,1-4H3,(H,21,25).
What are the key properties of N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide?
N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71967691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).