N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide

C24H28N4O — CID 143548382

IUPACN-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide
SMILESCc1ccc(-c2cc(C3CCN(N(C)C=O)CC3)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N4O/c1-18-4-8-21(9-5-18)24-16-23(20-12-14-27(15-13-20)26(3)17-29)25-28(24)22-10-6-19(2)7-11-22/h4-11,16-17,20H,12-15H2,1-3H3
InChIKeyPFHXXVHTXFBPDU-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.34
Rot. Bonds5

About N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide

N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide (PubChem CID 143548382) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide
PubChem CID143548382
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide
SMILESCc1ccc(-c2cc(C3CCN(N(C)C=O)CC3)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N4O/c1-18-4-8-21(9-5-18)24-16-23(20-12-14-27(15-13-20)26(3)17-29)25-28(24)22-10-6-19(2)7-11-22/h4-11,16-17,20H,12-15H2,1-3H3
InChIKeyPFHXXVHTXFBPDU-UHFFFAOYSA-N
XLogP4.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide?
The IUPAC name of N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide (CID 143548382) is N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide.
What is the SMILES notation for N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide?
The canonical SMILES for N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide is Cc1ccc(-c2cc(C3CCN(N(C)C=O)CC3)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide?
The InChIKey is PFHXXVHTXFBPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-4-8-21(9-5-18)24-16-23(20-12-14-27(15-13-20)26(3)17-29)25-28(24)22-10-6-19(2)7-11-22/h4-11,16-17,20H,12-15H2,1-3H3.
What are the key properties of N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide?
N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide has a molecular weight of 388.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,5-bis(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]-N-methylformamide is sourced from PubChem (CID 143548382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).