1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine

C16H32N4 — CID 79064110

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
SMILESCCCNC(Cc1cc(C)nn1C)C(C)(CC)N(C)C
InChIInChI=1S/C16H32N4/c1-8-10-17-15(16(4,9-2)19(5)6)12-14-11-13(3)18-20(14)7/h11,15,17H,8-10,12H2,1-7H3
InChIKeyFTWQNKQJQSYQHM-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.37
Rot. Bonds8

About 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine

1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine (PubChem CID 79064110) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
PubChem CID79064110
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
SMILESCCCNC(Cc1cc(C)nn1C)C(C)(CC)N(C)C
InChIInChI=1S/C16H32N4/c1-8-10-17-15(16(4,9-2)19(5)6)12-14-11-13(3)18-20(14)7/h11,15,17H,8-10,12H2,1-7H3
InChIKeyFTWQNKQJQSYQHM-UHFFFAOYSA-N
XLogP2.37
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine
CID 107049844
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757879
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068743
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79055746
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79198502
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760786
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine (CID 79064110) is 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine is CCCNC(Cc1cc(C)nn1C)C(C)(CC)N(C)C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine?
The InChIKey is FTWQNKQJQSYQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-8-10-17-15(16(4,9-2)19(5)6)12-14-11-13(3)18-20(14)7/h11,15,17H,8-10,12H2,1-7H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine?
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine is sourced from PubChem (CID 79064110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).