1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide

C19H26N4O2 — CID 94605143

IUPAC1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)NCCN3CCCC[C@H]3C)n2)cc1
InChIInChI=1S/C19H26N4O2/c1-15-5-3-4-12-22(15)14-11-20-19(24)18-10-13-23(21-18)16-6-8-17(25-2)9-7-16/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyMVRQHNLRDQNARD-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide

1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 94605143) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide
PubChem CID94605143
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)NCCN3CCCC[C@H]3C)n2)cc1
InChIInChI=1S/C19H26N4O2/c1-15-5-3-4-12-22(15)14-11-20-19(24)18-10-13-23(21-18)16-6-8-17(25-2)9-7-16/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyMVRQHNLRDQNARD-OAHLLOKOSA-N
XLogP2.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide
CID 86991612
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119537008
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 119575055
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3921489
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111171361
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 71877262
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145743
2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide (CID 94605143) is 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide is COc1ccc(-n2ccc(C(=O)NCCN3CCCC[C@H]3C)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide?
The InChIKey is MVRQHNLRDQNARD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-5-3-4-12-22(15)14-11-20-19(24)18-10-13-23(21-18)16-6-8-17(25-2)9-7-16/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide?
1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 94605143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).