1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine

C16H31N5 — CID 62658494

IUPAC1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCC2CCN(C)CC2)cn1
InChIInChI=1S/C16H31N5/c1-4-20(5-2)10-11-21-14-16(13-18-21)17-12-15-6-8-19(3)9-7-15/h13-15,17H,4-12H2,1-3H3
InChIKeyROVDXUYNZRIKEI-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.98
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine

1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine (PubChem CID 62658494) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
PubChem CID62658494
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCC2CCN(C)CC2)cn1
InChIInChI=1S/C16H31N5/c1-4-20(5-2)10-11-21-14-16(13-18-21)17-12-15-6-8-19(3)9-7-15/h13-15,17H,4-12H2,1-3H3
InChIKeyROVDXUYNZRIKEI-UHFFFAOYSA-N
XLogP1.98
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine (CID 62658494) is 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine is CCN(CC)CCn1cc(NCC2CCN(C)CC2)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine?
The InChIKey is ROVDXUYNZRIKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-4-20(5-2)10-11-21-14-16(13-18-21)17-12-15-6-8-19(3)9-7-15/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine?
1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine has a molecular weight of 293.46 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 62658494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).