1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine

C24H30ClN5 — CID 56679340

IUPAC1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
SMILESCC(C)(C)c1cc(N2CCC(NC(c3ccc(Cl)cc3)c3cccnc3)CC2)n[nH]1
InChIInChI=1S/C24H30ClN5/c1-24(2,3)21-15-22(29-28-21)30-13-10-20(11-14-30)27-23(18-5-4-12-26-16-18)17-6-8-19(25)9-7-17/h4-9,12,15-16,20,23,27H,10-11,13-14H2,1-3H3,(H,28,29)
InChIKeyKMYNGYWLMPLCLN-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.10
Rot. Bonds5

About 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine

1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine (PubChem CID 56679340) has the molecular formula C24H30ClN5 and a molecular weight of 423.99 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
PubChem CID56679340
Molecular FormulaC24H30ClN5
Molecular Weight423.99 g/mol
Exact Mass423.22
IUPAC Name1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
SMILESCC(C)(C)c1cc(N2CCC(NC(c3ccc(Cl)cc3)c3cccnc3)CC2)n[nH]1
InChIInChI=1S/C24H30ClN5/c1-24(2,3)21-15-22(29-28-21)30-13-10-20(11-14-30)27-23(18-5-4-12-26-16-18)17-6-8-19(25)9-7-17/h4-9,12,15-16,20,23,27H,10-11,13-14H2,1-3H3,(H,28,29)
InChIKeyKMYNGYWLMPLCLN-UHFFFAOYSA-N
XLogP5.10
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine?
The IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine (CID 56679340) is 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine?
The canonical SMILES for 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine is CC(C)(C)c1cc(N2CCC(NC(c3ccc(Cl)cc3)c3cccnc3)CC2)n[nH]1.
What is the InChIKey of 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine?
The InChIKey is KMYNGYWLMPLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5/c1-24(2,3)21-15-22(29-28-21)30-13-10-20(11-14-30)27-23(18-5-4-12-26-16-18)17-6-8-19(25)9-7-17/h4-9,12,15-16,20,23,27H,10-11,13-14H2,1-3H3,(H,28,29).
What are the key properties of 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine?
1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine has a molecular weight of 423.99 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine is sourced from PubChem (CID 56679340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).