5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole

C13H21N3 — CID 73440312

IUPAC5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole
SMILESc1cc(C2CCN(C3CCCCC3)C2)[nH]n1
InChIInChI=1S/C13H21N3/c1-2-4-12(5-3-1)16-9-7-11(10-16)13-6-8-14-15-13/h6,8,11-12H,1-5,7,9-10H2,(H,14,15)
InChIKeyNIRVRHFIHWKFSO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.53
Rot. Bonds2

About 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole

5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole (PubChem CID 73440312) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole
PubChem CID73440312
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole
SMILESc1cc(C2CCN(C3CCCCC3)C2)[nH]n1
InChIInChI=1S/C13H21N3/c1-2-4-12(5-3-1)16-9-7-11(10-16)13-6-8-14-15-13/h6,8,11-12H,1-5,7,9-10H2,(H,14,15)
InChIKeyNIRVRHFIHWKFSO-UHFFFAOYSA-N
XLogP2.53
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole?
The IUPAC name of 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole (CID 73440312) is 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole is c1cc(C2CCN(C3CCCCC3)C2)[nH]n1.
What is the InChIKey of 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole?
The InChIKey is NIRVRHFIHWKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-4-12(5-3-1)16-9-7-11(10-16)13-6-8-14-15-13/h6,8,11-12H,1-5,7,9-10H2,(H,14,15).
What are the key properties of 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole?
5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole has a molecular weight of 219.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrrolidin-3-yl)-1H-pyrazole is sourced from PubChem (CID 73440312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).