5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine

C16H24N4 — CID 66029003

IUPAC5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(CC)c1ccc(C)cc1
InChIInChI=1S/C16H24N4/c1-5-11-20-16(15(17)13(4)18-20)19(6-2)14-9-7-12(3)8-10-14/h7-10H,5-6,11,17H2,1-4H3
InChIKeyCLVYIMRTUQRQFX-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.65
Rot. Bonds5

About 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine

5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine (PubChem CID 66029003) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine
PubChem CID66029003
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(CC)c1ccc(C)cc1
InChIInChI=1S/C16H24N4/c1-5-11-20-16(15(17)13(4)18-20)19(6-2)14-9-7-12(3)8-10-14/h7-10H,5-6,11,17H2,1-4H3
InChIKeyCLVYIMRTUQRQFX-UHFFFAOYSA-N
XLogP3.65
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66027619
5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66027246
5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66027818
5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66027633
3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
CID 50944289
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029760
5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
CID 66027232
5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine
CID 66013691
5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66028752
5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
CID 66029209
3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine
CID 66028019

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine (CID 66029003) is 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(CC)c1ccc(C)cc1.
What is the InChIKey of 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine?
The InChIKey is CLVYIMRTUQRQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-11-20-16(15(17)13(4)18-20)19(6-2)14-9-7-12(3)8-10-14/h7-10H,5-6,11,17H2,1-4H3.
What are the key properties of 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine?
5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66029003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).