1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine

C18H26N4O — CID 141188332

IUPAC1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc(Cn2ccc(N3CCC(N(C)C)CC3)n2)cc1
InChIInChI=1S/C18H26N4O/c1-20(2)16-8-11-21(12-9-16)18-10-13-22(19-18)14-15-4-6-17(23-3)7-5-15/h4-7,10,13,16H,8-9,11-12,14H2,1-3H3
InChIKeyKYYXZKCSOVMGMQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.47
Rot. Bonds5

About 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine

1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 141188332) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID141188332
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc(Cn2ccc(N3CCC(N(C)C)CC3)n2)cc1
InChIInChI=1S/C18H26N4O/c1-20(2)16-8-11-21(12-9-16)18-10-13-22(19-18)14-15-4-6-17(23-3)7-5-15/h4-7,10,13,16H,8-9,11-12,14H2,1-3H3
InChIKeyKYYXZKCSOVMGMQ-UHFFFAOYSA-N
XLogP2.47
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]boronic acid
CID 175477435
ethane;methyl 1-(1-benzylpyrazol-3-yl)pyrrolidine-3-carboxylate
CID 145270847
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
8-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131639696
N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate
CID 86740910
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 115413812
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
1-[4-(chloromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586241
1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole
CID 126655401

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine (CID 141188332) is 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine is COc1ccc(Cn2ccc(N3CCC(N(C)C)CC3)n2)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is KYYXZKCSOVMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-20(2)16-8-11-21(12-9-16)18-10-13-22(19-18)14-15-4-6-17(23-3)7-5-15/h4-7,10,13,16H,8-9,11-12,14H2,1-3H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine?
1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 314.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 141188332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).