(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone

C19H26N4O — CID 110336479

IUPAC(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
SMILESCC(C)c1ccc(-c2cc(C(=O)N3CCN(C)CC3)nn2C)cc1
InChIInChI=1S/C19H26N4O/c1-14(2)15-5-7-16(8-6-15)18-13-17(20-22(18)4)19(24)23-11-9-21(3)10-12-23/h5-8,13-14H,9-12H2,1-4H3
InChIKeyLJVQQXWDUKDILQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.60
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone

(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone (PubChem CID 110336479) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
PubChem CID110336479
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
SMILESCC(C)c1ccc(-c2cc(C(=O)N3CCN(C)CC3)nn2C)cc1
InChIInChI=1S/C19H26N4O/c1-14(2)15-5-7-16(8-6-15)18-13-17(20-22(18)4)19(24)23-11-9-21(3)10-12-23/h5-8,13-14H,9-12H2,1-4H3
InChIKeyLJVQQXWDUKDILQ-UHFFFAOYSA-N
XLogP2.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-chlorophenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336238
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336445
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110336253
4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336572
[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
CID 82049017

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone (CID 110336479) is (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone is CC(C)c1ccc(-c2cc(C(=O)N3CCN(C)CC3)nn2C)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone?
The InChIKey is LJVQQXWDUKDILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)15-5-7-16(8-6-15)18-13-17(20-22(18)4)19(24)23-11-9-21(3)10-12-23/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone?
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 110336479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).