1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine

C17H30N4 — CID 91921464

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine
SMILESCCn1nc(C)c(CN2CCC(C3CCNC3)CC2)c1C
InChIInChI=1S/C17H30N4/c1-4-21-14(3)17(13(2)19-21)12-20-9-6-15(7-10-20)16-5-8-18-11-16/h15-16,18H,4-12H2,1-3H3
InChIKeyFYZDCWSPPWJNNX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.34
Rot. Bonds4

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine (PubChem CID 91921464) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine
PubChem CID91921464
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine
SMILESCCn1nc(C)c(CN2CCC(C3CCNC3)CC2)c1C
InChIInChI=1S/C17H30N4/c1-4-21-14(3)17(13(2)19-21)12-20-9-6-15(7-10-20)16-5-8-18-11-16/h15-16,18H,4-12H2,1-3H3
InChIKeyFYZDCWSPPWJNNX-UHFFFAOYSA-N
XLogP2.34
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine (CID 91921464) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine is CCn1nc(C)c(CN2CCC(C3CCNC3)CC2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine?
The InChIKey is FYZDCWSPPWJNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-21-14(3)17(13(2)19-21)12-20-9-6-15(7-10-20)16-5-8-18-11-16/h15-16,18H,4-12H2,1-3H3.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine has a molecular weight of 290.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 91921464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).