2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate

C14H21N3O3 — CID 3243745

IUPAC2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate
SMILESCC(C)COC(=O)n1ccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C14H21N3O3/c1-11(2)10-20-14(19)17-9-6-12(15-17)13(18)16-7-4-3-5-8-16/h6,9,11H,3-5,7-8,10H2,1-2H3
InChIKeyFBYGRQIUGFDSQK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.15
Rot. Bonds3

About 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate

2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate (PubChem CID 3243745) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate
PubChem CID3243745
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate
SMILESCC(C)COC(=O)n1ccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C14H21N3O3/c1-11(2)10-20-14(19)17-9-6-12(15-17)13(18)16-7-4-3-5-8-16/h6,9,11H,3-5,7-8,10H2,1-2H3
InChIKeyFBYGRQIUGFDSQK-UHFFFAOYSA-N
XLogP2.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone
CID 6469573
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
US11142526, Example 79
CID 137533029
US11142526, Example 81
CID 137533224
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
tert-butyl 3-formyl-1H-pyrazole-1-carboxylate
CID 23138543
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
4-Fluoro-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 124053494

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate (CID 3243745) is 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate is CC(C)COC(=O)n1ccc(C(=O)N2CCCCC2)n1.
What is the InChIKey of 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate?
The InChIKey is FBYGRQIUGFDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11(2)10-20-14(19)17-9-6-12(15-17)13(18)16-7-4-3-5-8-16/h6,9,11H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate?
2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(piperidine-1-carbonyl)pyrazole-1-carboxylate is sourced from PubChem (CID 3243745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).