1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine

C15H20N4 — CID 81466627

IUPAC1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(-c3ccn[nH]3)c2)CN1C
InChIInChI=1S/C15H20N4/c1-11-8-14(10-19(11)2)17-13-5-3-4-12(9-13)15-6-7-16-18-15/h3-7,9,11,14,17H,8,10H2,1-2H3,(H,16,18)
InChIKeyZXGGXNBPFIEQKM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.58
Rot. Bonds3

About 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine

1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine (PubChem CID 81466627) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
PubChem CID81466627
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(-c3ccn[nH]3)c2)CN1C
InChIInChI=1S/C15H20N4/c1-11-8-14(10-19(11)2)17-13-5-3-4-12(9-13)15-6-7-16-18-15/h3-7,9,11,14,17H,8,10H2,1-2H3,(H,16,18)
InChIKeyZXGGXNBPFIEQKM-UHFFFAOYSA-N
XLogP2.58
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine (CID 81466627) is 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine is CC1CC(Nc2cccc(-c3ccn[nH]3)c2)CN1C.
What is the InChIKey of 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine?
The InChIKey is ZXGGXNBPFIEQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-8-14(10-19(11)2)17-13-5-3-4-12(9-13)15-6-7-16-18-15/h3-7,9,11,14,17H,8,10H2,1-2H3,(H,16,18).
What are the key properties of 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 81466627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).