1-cycloheptyl-4-pyrrolidin-3-ylpyrazole

C14H23N3 — CID 105493602

IUPAC1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
SMILESc1nn(C2CCCCCC2)cc1C1CCNC1
InChIInChI=1S/C14H23N3/c1-2-4-6-14(5-3-1)17-11-13(10-16-17)12-7-8-15-9-12/h10-12,14-15H,1-9H2
InChIKeyZRBGZGHUZPXDTK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.86
Rot. Bonds2

About 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole

1-cycloheptyl-4-pyrrolidin-3-ylpyrazole (PubChem CID 105493602) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
PubChem CID105493602
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
SMILESc1nn(C2CCCCCC2)cc1C1CCNC1
InChIInChI=1S/C14H23N3/c1-2-4-6-14(5-3-1)17-11-13(10-16-17)12-7-8-15-9-12/h10-12,14-15H,1-9H2
InChIKeyZRBGZGHUZPXDTK-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole
CID 105476564
3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine
CID 105495229
1-cyclopentyl-4-pyrrolidin-3-yloxypyrazole
CID 117233802
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
1-(2-methylpropyl)-4-pyrrolidin-3-ylpyrazole
CID 105447574
1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole
CID 105489365
1-cycloheptylpyrazol-4-ol
CID 116799473
4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine
CID 122240833
N-cycloheptyl-1-piperidin-4-ylpyrazol-4-amine
CID 82932629
4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine
CID 70903493
1-[(4S)-azepan-4-yl]pyrazol-4-amine
CID 171834882
5-pyrrolidin-3-ylpyrimidine
CID 66996535

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole?
The IUPAC name of 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole (CID 105493602) is 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole is c1nn(C2CCCCCC2)cc1C1CCNC1.
What is the InChIKey of 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole?
The InChIKey is ZRBGZGHUZPXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-4-6-14(5-3-1)17-11-13(10-16-17)12-7-8-15-9-12/h10-12,14-15H,1-9H2.
What are the key properties of 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole?
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole has a molecular weight of 233.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 105493602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).