5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole

C14H23N3 — CID 110249240

IUPAC5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole
SMILESc1cc(C2CCCN2CC2CCCCC2)[nH]n1
InChIInChI=1S/C14H23N3/c1-2-5-12(6-3-1)11-17-10-4-7-14(17)13-8-9-15-16-13/h8-9,12,14H,1-7,10-11H2,(H,15,16)
InChIKeyGTQWNSYXVKKHPU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.13
Rot. Bonds3

About 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole

5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole (PubChem CID 110249240) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole
PubChem CID110249240
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole
SMILESc1cc(C2CCCN2CC2CCCCC2)[nH]n1
InChIInChI=1S/C14H23N3/c1-2-5-12(6-3-1)11-17-10-4-7-14(17)13-8-9-15-16-13/h8-9,12,14H,1-7,10-11H2,(H,15,16)
InChIKeyGTQWNSYXVKKHPU-UHFFFAOYSA-N
XLogP3.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-Pyrazol-5-yl)piperidine
CID 21193114
3-(1H-pyrazol-5-yl)piperidine
CID 42961301
1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
3-cyclohexyl-1H-pyrazole
CID 10909742
2-(1H-pyrazol-3-yl)piperidine
CID 46737142
4-(1H-pyrazol-5-ylmethyl)piperidine
CID 75355610
3-(pyrrolidin-2-yl)-1H-pyrazole
CID 23282562
3-Cyclopentyl-1H-pyrazole
CID 12108430
3-(1H-pyrazol-5-yl)piperidine dihydrochloride
CID 42961300
5-(pyrrolidin-3-yl)-1H-pyrazole dihydrochloride
CID 132344522
8-(1H-pyrazol-3-yl)-6-azaspiro(3.4)octane dihydrochloride
CID 165882296
1-{2-[3-(1H-Pyrazol-3-YL)piperidin-1-YL]ethyl}pyrrolidin-2-one
CID 72153927

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole (CID 110249240) is 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole is c1cc(C2CCCN2CC2CCCCC2)[nH]n1.
What is the InChIKey of 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is GTQWNSYXVKKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-5-12(6-3-1)11-17-10-4-7-14(17)13-8-9-15-16-13/h8-9,12,14H,1-7,10-11H2,(H,15,16).
What are the key properties of 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole?
5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 233.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 110249240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).