ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate

C19H24N4O3 — CID 110299419

IUPACethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n(C)n2)CC1
InChIInChI=1S/C19H24N4O3/c1-4-26-19(25)23-11-9-22(10-12-23)18(24)16-13-17(21(3)20-16)15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyKLPQRVCBUWBARC-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.31
Rot. Bonds3

About ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate (PubChem CID 110299419) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
PubChem CID110299419
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n(C)n2)CC1
InChIInChI=1S/C19H24N4O3/c1-4-26-19(25)23-11-9-22(10-12-23)18(24)16-13-17(21(3)20-16)15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyKLPQRVCBUWBARC-UHFFFAOYSA-N
XLogP2.31
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
ethyl 4-[[1-methyl-5-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 110336491
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
4-[5-(4-chlorophenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336238
[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336445
3-(dimethylamino)-1-[4-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]propan-1-one
CID 110420398
4-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336762
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate (CID 110299419) is ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n(C)n2)CC1.
What is the InChIKey of ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is KLPQRVCBUWBARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-26-19(25)23-11-9-22(10-12-23)18(24)16-13-17(21(3)20-16)15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 110299419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).