N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide

C19H26N4O2 — CID 96526370

IUPACN-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(C)nn1C
InChIInChI=1S/C19H26N4O2/c1-14-17(19(25-3)22(2)21-14)18(24)20-16-10-7-11-23(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-13H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeySMXCNADBLHGLJV-MRXNPFEDSA-N
MW342.44 g/mol
LogP2.13
Rot. Bonds5

About N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide

N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 96526370) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
PubChem CID96526370
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(C)nn1C
InChIInChI=1S/C19H26N4O2/c1-14-17(19(25-3)22(2)21-14)18(24)20-16-10-7-11-23(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-13H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeySMXCNADBLHGLJV-MRXNPFEDSA-N
XLogP2.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 42958722
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N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
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2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
CID 113239287
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
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N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
5-methoxy-1,3-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazole-4-carboxamide
CID 167839394
3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 75515784
N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
CID 44533094
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide (CID 96526370) is N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide is COc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(C)nn1C.
What is the InChIKey of N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is SMXCNADBLHGLJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-17(19(25-3)22(2)21-14)18(24)20-16-10-7-11-23(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-13H2,1-3H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 96526370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).