1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide

C22H32N4O2 — CID 154806597

IUPAC1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide
SMILESCOc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(C)CC2C(N)=O)c1
InChIInChI=1S/C22H32N4O2/c1-15-9-10-25(19(11-15)21(23)27)13-17-14-26(22(2,3)4)24-20(17)16-7-6-8-18(12-16)28-5/h6-8,12,14-15,19H,9-11,13H2,1-5H3,(H2,23,27)
InChIKeyKMJDGEPYJYTCDY-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.40
Rot. Bonds5

About 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide

1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide (PubChem CID 154806597) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide
PubChem CID154806597
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide
SMILESCOc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(C)CC2C(N)=O)c1
InChIInChI=1S/C22H32N4O2/c1-15-9-10-25(19(11-15)21(23)27)13-17-14-26(22(2,3)4)24-20(17)16-7-6-8-18(12-16)28-5/h6-8,12,14-15,19H,9-11,13H2,1-5H3,(H2,23,27)
InChIKeyKMJDGEPYJYTCDY-UHFFFAOYSA-N
XLogP3.40
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 39095997
2-[[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122073256
(2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide
CID 97216797
(2S)-1-[[2-(3-methoxyphenyl)-1-benzofuran-5-yl]methyl]pyrrolidine-2-carboxamide
CID 171775448
(3S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 87040166
3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 39096185
(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50970711
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
(4-aminopiperidin-1-yl)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119374601
1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
CID 175119065
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 56922790
1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421987

Frequently Asked Questions

What is the IUPAC name of 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide (CID 154806597) is 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide is COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(C)CC2C(N)=O)c1.
What is the InChIKey of 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is KMJDGEPYJYTCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-15-9-10-25(19(11-15)21(23)27)13-17-14-26(22(2,3)4)24-20(17)16-7-6-8-18(12-16)28-5/h6-8,12,14-15,19H,9-11,13H2,1-5H3,(H2,23,27).
What are the key properties of 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide?
1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 154806597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).