N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide

C20H27N5O2 — CID 136541941

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2c(C)nn(Cc3ccccc3)c2N)CC1
InChIInChI=1S/C20H27N5O2/c1-14-18(19(21)25(23-14)13-17-6-4-3-5-7-17)20(27)22-12-16-8-10-24(11-9-16)15(2)26/h3-7,16H,8-13,21H2,1-2H3,(H,22,27)
InChIKeyOUYHZQGPOSMMAY-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.81
Rot. Bonds5

About N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide (PubChem CID 136541941) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide
PubChem CID136541941
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2c(C)nn(Cc3ccccc3)c2N)CC1
InChIInChI=1S/C20H27N5O2/c1-14-18(19(21)25(23-14)13-17-6-4-3-5-7-17)20(27)22-12-16-8-10-24(11-9-16)15(2)26/h3-7,16H,8-13,21H2,1-2H3,(H,22,27)
InChIKeyOUYHZQGPOSMMAY-UHFFFAOYSA-N
XLogP1.81
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide
CID 146086421
5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 146086480
N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
CID 119945298
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 56810648
1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 33024736
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7557482
5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
CID 154859017
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide (CID 136541941) is N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide is CC(=O)N1CCC(CNC(=O)c2c(C)nn(Cc3ccccc3)c2N)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide?
The InChIKey is OUYHZQGPOSMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-18(19(21)25(23-14)13-17-6-4-3-5-7-17)20(27)22-12-16-8-10-24(11-9-16)15(2)26/h3-7,16H,8-13,21H2,1-2H3,(H,22,27).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136541941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).