N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine

C19H31N5 — CID 46980578

IUPACN-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCCCn1nc(C)c(-c2cncn2CCN(C)C2CCCC2)c1C
InChIInChI=1S/C19H31N5/c1-5-10-24-16(3)19(15(2)21-24)18-13-20-14-23(18)12-11-22(4)17-8-6-7-9-17/h13-14,17H,5-12H2,1-4H3
InChIKeyNQWWYOQKYMZQKD-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.65
Rot. Bonds7

About N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine

N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine (PubChem CID 46980578) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
PubChem CID46980578
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC NameN-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCCCn1nc(C)c(-c2cncn2CCN(C)C2CCCC2)c1C
InChIInChI=1S/C19H31N5/c1-5-10-24-16(3)19(15(2)21-24)18-13-20-14-23(18)12-11-22(4)17-8-6-7-9-17/h13-14,17H,5-12H2,1-4H3
InChIKeyNQWWYOQKYMZQKD-UHFFFAOYSA-N
XLogP3.65
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine (CID 46980578) is N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine is CCCn1nc(C)c(-c2cncn2CCN(C)C2CCCC2)c1C.
What is the InChIKey of N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The InChIKey is NQWWYOQKYMZQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-5-10-24-16(3)19(15(2)21-24)18-13-20-14-23(18)12-11-22(4)17-8-6-7-9-17/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine has a molecular weight of 329.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 46980578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).