tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate

C16H28N4O2 — CID 104584235

IUPACtert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H28N4O2/c1-12(2)18-13-10-17-20(11-13)14-6-8-19(9-7-14)15(21)22-16(3,4)5/h10-12,14,18H,6-9H2,1-5H3
InChIKeyBDHWLEMAYUDBEB-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 104584235) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID104584235
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H28N4O2/c1-12(2)18-13-10-17-20(11-13)14-6-8-19(9-7-14)15(21)22-16(3,4)5/h10-12,14,18H,6-9H2,1-5H3
InChIKeyBDHWLEMAYUDBEB-UHFFFAOYSA-N
XLogP3.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
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tert-butyl 4-[4-(4-methylpiperazin-1-yl)pyrazol-1-yl]piperidine-1-carboxylate
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tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
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tert-butyl 4-[4-(4-nitropyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate (CID 104584235) is tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate is CC(C)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is BDHWLEMAYUDBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(2)18-13-10-17-20(11-13)14-6-8-19(9-7-14)15(21)22-16(3,4)5/h10-12,14,18H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 104584235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).