[1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone

C31H37N5O — CID 144965086

IUPAC[1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(-c2ccccc2)ccc1CN1CCN(C(=C2CC2)n2cc(C(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C31H37N5O/c1-24-20-27(25-8-4-2-5-9-25)12-13-28(24)22-33-16-18-34(19-17-33)30(26-10-11-26)36-23-29(21-32-36)31(37)35-14-6-3-7-15-35/h2,4-5,8-9,12-13,20-21,23H,3,6-7,10-11,14-19,22H2,1H3
InChIKeyANONVSMGZSBENY-UHFFFAOYSA-N
MW495.67 g/mol
LogP5.26
Rot. Bonds6

About [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone

[1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 144965086) has the molecular formula C31H37N5O and a molecular weight of 495.67 g/mol. Its IUPAC name is [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone
PubChem CID144965086
Molecular FormulaC31H37N5O
Molecular Weight495.67 g/mol
Exact Mass495.30
IUPAC Name[1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(-c2ccccc2)ccc1CN1CCN(C(=C2CC2)n2cc(C(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C31H37N5O/c1-24-20-27(25-8-4-2-5-9-25)12-13-28(24)22-33-16-18-34(19-17-33)30(26-10-11-26)36-23-29(21-32-36)31(37)35-14-6-3-7-15-35/h2,4-5,8-9,12-13,20-21,23H,3,6-7,10-11,14-19,22H2,1H3
InChIKeyANONVSMGZSBENY-UHFFFAOYSA-N
XLogP5.26
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 118526544
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9162740
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 145316030
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[4-[(4-chloro-2-methylphenyl)methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86795937
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
2,3-dihydro-1H-inden-5-yl-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642471
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576

Frequently Asked Questions

What is the IUPAC name of [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone (CID 144965086) is [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone is Cc1cc(-c2ccccc2)ccc1CN1CCN(C(=C2CC2)n2cc(C(=O)N3CCCCC3)cn2)CC1.
What is the InChIKey of [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is ANONVSMGZSBENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O/c1-24-20-27(25-8-4-2-5-9-25)12-13-28(24)22-33-16-18-34(19-17-33)30(26-10-11-26)36-23-29(21-32-36)31(37)35-14-6-3-7-15-35/h2,4-5,8-9,12-13,20-21,23H,3,6-7,10-11,14-19,22H2,1H3.
What are the key properties of [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone?
[1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 495.67 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 144965086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).