1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole

C15H23N5 — CID 118739821

IUPAC1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCn1nc(C)c(CN2CCC(c3ccn[nH]3)C2)c1C
InChIInChI=1S/C15H23N5/c1-4-20-12(3)14(11(2)18-20)10-19-8-6-13(9-19)15-5-7-16-17-15/h5,7,13H,4,6,8-10H2,1-3H3,(H,16,17)
InChIKeySMRZFIRWGUQAHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds4

About 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole

1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole (PubChem CID 118739821) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
PubChem CID118739821
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCn1nc(C)c(CN2CCC(c3ccn[nH]3)C2)c1C
InChIInChI=1S/C15H23N5/c1-4-20-12(3)14(11(2)18-20)10-19-8-6-13(9-19)15-5-7-16-17-15/h5,7,13H,4,6,8-10H2,1-3H3,(H,16,17)
InChIKeySMRZFIRWGUQAHL-UHFFFAOYSA-N
XLogP2.23
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole?
The IUPAC name of 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole (CID 118739821) is 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole?
The canonical SMILES for 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole is CCn1nc(C)c(CN2CCC(c3ccn[nH]3)C2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole?
The InChIKey is SMRZFIRWGUQAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-20-12(3)14(11(2)18-20)10-19-8-6-13(9-19)15-5-7-16-17-15/h5,7,13H,4,6,8-10H2,1-3H3,(H,16,17).
What are the key properties of 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole?
1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole has a molecular weight of 273.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole is sourced from PubChem (CID 118739821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).