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

C10H17N3 — CID 115015488

IUPAC4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
SMILESCCc1cn[nH]c1CC1CCNC1
InChIInChI=1S/C10H17N3/c1-2-9-7-12-13-10(9)5-8-3-4-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyMHWUZYZKYATPQP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.12
Rot. Bonds3

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

4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole (PubChem CID 115015488) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
PubChem CID115015488
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
SMILESCCc1cn[nH]c1CC1CCNC1
InChIInChI=1S/C10H17N3/c1-2-9-7-12-13-10(9)5-8-3-4-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyMHWUZYZKYATPQP-UHFFFAOYSA-N
XLogP1.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115039845
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115036269
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 104619200
4-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 83479564
4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 115039341
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82414141
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 105447590
5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
CID 139490791

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The IUPAC name of 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole (CID 115015488) is 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole is CCc1cn[nH]c1CC1CCNC1.
What is the InChIKey of 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The InChIKey is MHWUZYZKYATPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-9-7-12-13-10(9)5-8-3-4-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 115015488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).