N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

C15H28ClN5 — CID 56720371

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCc1nn(CCNC(C)CN2CCN(C)CC2)c(C)c1Cl
InChIInChI=1S/C15H28ClN5/c1-12(11-20-9-7-19(4)8-10-20)17-5-6-21-14(3)15(16)13(2)18-21/h12,17H,5-11H2,1-4H3
InChIKeyWLFZVHDMIJXHFK-UHFFFAOYSA-N
MW313.88 g/mol
LogP1.38
Rot. Bonds6

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 56720371) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID56720371
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCc1nn(CCNC(C)CN2CCN(C)CC2)c(C)c1Cl
InChIInChI=1S/C15H28ClN5/c1-12(11-20-9-7-19(4)8-10-20)17-5-6-21-14(3)15(16)13(2)18-21/h12,17H,5-11H2,1-4H3
InChIKeyWLFZVHDMIJXHFK-UHFFFAOYSA-N
XLogP1.38
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethylamine hydrochloride
CID 16192641
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 56713756
1-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 54592619
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 21071112
[4-Chloro-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrazol-1-ium-3-yl]methanamine
CID 59826472
[4-Chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
CID 59833769
[4-Chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
CID 59833771
2-[4-Chloro-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 140140921

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 56720371) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is Cc1nn(CCNC(C)CN2CCN(C)CC2)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is WLFZVHDMIJXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-12(11-20-9-7-19(4)8-10-20)17-5-6-21-14(3)15(16)13(2)18-21/h12,17H,5-11H2,1-4H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 313.88 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 56720371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).