4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole

C14H23N3 — CID 115039845

IUPAC4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
SMILESc1n[nH]c(CC2CCNC2)c1C1CCCCC1
InChIInChI=1S/C14H23N3/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h10-12,15H,1-9H2,(H,16,17)
InChIKeyHOENGFAPNSWXIC-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.61
Rot. Bonds3

About 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole

4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole (PubChem CID 115039845) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
PubChem CID115039845
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
SMILESc1n[nH]c(CC2CCNC2)c1C1CCCCC1
InChIInChI=1S/C14H23N3/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h10-12,15H,1-9H2,(H,16,17)
InChIKeyHOENGFAPNSWXIC-UHFFFAOYSA-N
XLogP2.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115015488
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115036269
2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid
CID 105423374
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
4-(4-cyclobutyl-1H-pyrazol-5-yl)piperidine
CID 115024346
2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 117230949
4-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 83479564
4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 115039341
[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine
CID 83818386
2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
CID 166431958
5-fluoro-4-pyrrolidin-3-yl-1H-pyrazole
CID 139344016
2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole
CID 115040423

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The IUPAC name of 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole (CID 115039845) is 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The canonical SMILES for 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole is c1n[nH]c(CC2CCNC2)c1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The InChIKey is HOENGFAPNSWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h10-12,15H,1-9H2,(H,16,17).
What are the key properties of 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole has a molecular weight of 233.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 115039845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).