4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

C18H27N5 — CID 75453484

IUPAC4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCCn1cc(C2CCN(Cc3ccnc(N(C)C)c3)CC2)cn1
InChIInChI=1S/C18H27N5/c1-4-23-14-17(12-20-23)16-6-9-22(10-7-16)13-15-5-8-19-18(11-15)21(2)3/h5,8,11-12,14,16H,4,6-7,9-10,13H2,1-3H3
InChIKeyKJSVSGORCDNCMA-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.74
Rot. Bonds5

About 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 75453484) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID75453484
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCCn1cc(C2CCN(Cc3ccnc(N(C)C)c3)CC2)cn1
InChIInChI=1S/C18H27N5/c1-4-23-14-17(12-20-23)16-6-9-22(10-7-16)13-15-5-8-19-18(11-15)21(2)3/h5,8,11-12,14,16H,4,6-7,9-10,13H2,1-3H3
InChIKeyKJSVSGORCDNCMA-UHFFFAOYSA-N
XLogP2.74
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 75453484) is 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is CCn1cc(C2CCN(Cc3ccnc(N(C)C)c3)CC2)cn1.
What is the InChIKey of 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is KJSVSGORCDNCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-4-23-14-17(12-20-23)16-6-9-22(10-7-16)13-15-5-8-19-18(11-15)21(2)3/h5,8,11-12,14,16H,4,6-7,9-10,13H2,1-3H3.
What are the key properties of 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 313.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 75453484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).