tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate

C24H29N5O2 — CID 67184415

IUPACtert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3ccncc3)c(-c3cccc(N)c3)n2)CC1
InChIInChI=1S/C24H29N5O2/c1-24(2,3)31-23(30)28-13-9-20(10-14-28)29-16-21(17-7-11-26-12-8-17)22(27-29)18-5-4-6-19(25)15-18/h4-8,11-12,15-16,20H,9-10,13-14,25H2,1-3H3
InChIKeyGIBHKZLMEUDLER-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.77
Rot. Bonds3

About tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 67184415) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate
PubChem CID67184415
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Nametert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3ccncc3)c(-c3cccc(N)c3)n2)CC1
InChIInChI=1S/C24H29N5O2/c1-24(2,3)31-23(30)28-13-9-20(10-14-28)29-16-21(17-7-11-26-12-8-17)22(27-29)18-5-4-6-19(25)15-18/h4-8,11-12,15-16,20H,9-10,13-14,25H2,1-3H3
InChIKeyGIBHKZLMEUDLER-UHFFFAOYSA-N
XLogP4.77
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 177209110
tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate
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CID 166536702
5-cyclopropyl-N-[3-[1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-4-pyridin-4-ylpyrazol-3-yl]phenyl]-1,3-oxazole-2-carboxamide
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tert-butyl 4-(3-aminophenyl)imidazole-1-carboxylate
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tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
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CID 18969335
tert-butyl 4-[2-(3-aminophenoxy)acetyl]piperazine-1-carboxylate
CID 58795972
tert-butyl 4-[4-[6-amino-5-(5-pyridin-3-yl-1H-imidazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 141449988
1-O-tert-butyl 4-O-ethyl 5-(3-aminophenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate (CID 67184415) is tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccncc3)c(-c3cccc(N)c3)n2)CC1.
What is the InChIKey of tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is GIBHKZLMEUDLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-24(2,3)31-23(30)28-13-9-20(10-14-28)29-16-21(17-7-11-26-12-8-17)22(27-29)18-5-4-6-19(25)15-18/h4-8,11-12,15-16,20H,9-10,13-14,25H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 419.53 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(3-aminophenyl)-4-pyridin-4-ylpyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67184415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).