4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide

C19H25N5O3 — CID 110086497

IUPAC4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C
InChIInChI=1S/C19H25N5O3/c1-20-18(25)16-13-23(10-9-22(16)2)19(26)14-5-6-17(27-3)15(11-14)12-24-8-4-7-21-24/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,20,25)
InChIKeyQZXVPONCIQUPII-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.44
Rot. Bonds5

About 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide

4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 110086497) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide
PubChem CID110086497
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C
InChIInChI=1S/C19H25N5O3/c1-20-18(25)16-13-23(10-9-22(16)2)19(26)14-5-6-17(27-3)15(11-14)12-24-8-4-7-21-24/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,20,25)
InChIKeyQZXVPONCIQUPII-UHFFFAOYSA-N
XLogP0.44
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone
CID 110244568
4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086218
(2S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977354
(2R)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977353
N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide
CID 121451737
(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124993020
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 46952277
(E)-1-(3,4-dimethoxyphenyl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one
CID 19561057
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 95807248

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide (CID 110086497) is 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C.
What is the InChIKey of 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is QZXVPONCIQUPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-20-18(25)16-13-23(10-9-22(16)2)19(26)14-5-6-17(27-3)15(11-14)12-24-8-4-7-21-24/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,20,25).
What are the key properties of 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide?
4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110086497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).