tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate

C17H25N3O3 — CID 21097373

IUPACtert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(C=O)cnn2C2CC2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-8-6-12(7-9-19)15-13(11-21)10-18-20(15)14-4-5-14/h10-12,14H,4-9H2,1-3H3
InChIKeyBHGKGEBLCNNKHV-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 21097373) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate
PubChem CID21097373
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(C=O)cnn2C2CC2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-8-6-12(7-9-19)15-13(11-21)10-18-20(15)14-4-5-14/h10-12,14H,4-9H2,1-3H3
InChIKeyBHGKGEBLCNNKHV-UHFFFAOYSA-N
XLogP3.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyclopropyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 126617375
tert-butyl 4-(1-cyclopropyl-4-methylpyrazol-5-yl)-3,3-dimethylpiperidine-1-carboxylate
CID 171506360
tert-butyl 4-(4-formyl-3-methylphenyl)piperidine-1-carboxylate
CID 130199926
tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
CID 118961780
tert-butyl 1-cyclopropyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 90426967
tert-butyl 4-(6-chloropyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 163560176
tert-butyl 4-(5-bromopyrazolo[3,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 167328407
tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate
CID 118961816
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-[6-formyl-5-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
CID 166078752
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
CID 73013691

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate (CID 21097373) is tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2c(C=O)cnn2C2CC2)CC1.
What is the InChIKey of tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is BHGKGEBLCNNKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-8-6-12(7-9-19)15-13(11-21)10-18-20(15)14-4-5-14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 21097373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).