4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole

C11H17N3 — CID 115018789

IUPAC4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole
SMILESc1n[nH]c(C2CCCN2)c1C1CCC1
InChIInChI=1S/C11H17N3/c1-3-8(4-1)9-7-13-14-11(9)10-5-2-6-12-10/h7-8,10,12H,1-6H2,(H,13,14)
InChIKeyHFDBTQMHAITDBC-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.10
Rot. Bonds2

About 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole

4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole (PubChem CID 115018789) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole
PubChem CID115018789
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole
SMILESc1n[nH]c(C2CCCN2)c1C1CCC1
InChIInChI=1S/C11H17N3/c1-3-8(4-1)9-7-13-14-11(9)10-5-2-6-12-10/h7-8,10,12H,1-6H2,(H,13,14)
InChIKeyHFDBTQMHAITDBC-UHFFFAOYSA-N
XLogP2.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclobutyl-1H-pyrazol-5-yl)piperidine
CID 115024346
5-chloro-4-pyrrolidin-2-yl-1H-pyrazole
CID 84766127
4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 115046230
4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 95730730
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
4-chloro-5-cyclobutyl-1H-pyrazole
CID 119055024
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
CID 95839872
2-(2-cyclopentylphenyl)piperidine
CID 115005914
5-pyrrolidin-2-yl-1H-indazole
CID 82602484
5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole
CID 125456183

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole?
The IUPAC name of 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole (CID 115018789) is 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole.
What is the SMILES notation for 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole?
The canonical SMILES for 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole is c1n[nH]c(C2CCCN2)c1C1CCC1.
What is the InChIKey of 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole?
The InChIKey is HFDBTQMHAITDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-8(4-1)9-7-13-14-11(9)10-5-2-6-12-10/h7-8,10,12H,1-6H2,(H,13,14).
What are the key properties of 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole?
4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole has a molecular weight of 191.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole is sourced from PubChem (CID 115018789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).