tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate

C16H28N4O2 — CID 107253321

IUPACtert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCCCNc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H28N4O2/c1-5-8-17-13-11-18-20(12-13)14-6-9-19(10-7-14)15(21)22-16(2,3)4/h11-12,14,17H,5-10H2,1-4H3
InChIKeyGUPXVHOPMYPPAO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.28
Rot. Bonds4

About tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 107253321) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID107253321
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCCCNc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H28N4O2/c1-5-8-17-13-11-18-20(12-13)14-6-9-19(10-7-14)15(21)22-16(2,3)4/h11-12,14,17H,5-10H2,1-4H3
InChIKeyGUPXVHOPMYPPAO-UHFFFAOYSA-N
XLogP3.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

tert-butyl 4-[4-(cyclopropylmethylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104587606
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104584235
tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
CID 155207963
tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate
CID 146276052
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
CID 169092669
tert-butyl 4-[4-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
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tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
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4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
CID 75434801
tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 171821154
tert-butyl 4-[4-[6-(tert-butylamino)-5-[5-(propylamino)-1,3-benzoxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate (CID 107253321) is tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate is CCCNc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is GUPXVHOPMYPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-8-17-13-11-18-20(12-13)14-6-9-19(10-7-14)15(21)22-16(2,3)4/h11-12,14,17H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 107253321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).