(1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone

C28H29N5O2 — CID 70802630

IUPAC(1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone
SMILESCc1ncc(-c2ccc(N3CCN(C(=O)c4cc(C5CC5)n(Cc5ccccc5)n4)CC3)cc2)o1
InChIInChI=1S/C28H29N5O2/c1-20-29-18-27(35-20)23-9-11-24(12-10-23)31-13-15-32(16-14-31)28(34)25-17-26(22-7-8-22)33(30-25)19-21-5-3-2-4-6-21/h2-6,9-12,17-18,22H,7-8,13-16,19H2,1H3
InChIKeySJIWJQHMWNUCPG-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.73
Rot. Bonds6

About (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone

(1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone (PubChem CID 70802630) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone
PubChem CID70802630
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name(1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone
SMILESCc1ncc(-c2ccc(N3CCN(C(=O)c4cc(C5CC5)n(Cc5ccccc5)n4)CC3)cc2)o1
InChIInChI=1S/C28H29N5O2/c1-20-29-18-27(35-20)23-9-11-24(12-10-23)31-13-15-32(16-14-31)28(34)25-17-26(22-7-8-22)33(30-25)19-21-5-3-2-4-6-21/h2-6,9-12,17-18,22H,7-8,13-16,19H2,1H3
InChIKeySJIWJQHMWNUCPG-UHFFFAOYSA-N
XLogP4.73
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 42285783
2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 112763043
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82301432
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110619740
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 110372660
(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
4-[4-(2-benzyl-1,2,4-triazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 133081671

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone (CID 70802630) is (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone is Cc1ncc(-c2ccc(N3CCN(C(=O)c4cc(C5CC5)n(Cc5ccccc5)n4)CC3)cc2)o1.
What is the InChIKey of (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone?
The InChIKey is SJIWJQHMWNUCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-20-29-18-27(35-20)23-9-11-24(12-10-23)31-13-15-32(16-14-31)28(34)25-17-26(22-7-8-22)33(30-25)19-21-5-3-2-4-6-21/h2-6,9-12,17-18,22H,7-8,13-16,19H2,1H3.
What are the key properties of (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone?
(1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone has a molecular weight of 467.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-cyclopropylpyrazol-3-yl)-[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 70802630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).