1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine

C15H29ClN4 — CID 79062885

IUPAC1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
SMILESCCc1nn(CC)c(CC(N)C(C)(CC)N(C)C)c1Cl
InChIInChI=1S/C15H29ClN4/c1-7-11-14(16)12(20(9-3)18-11)10-13(17)15(4,8-2)19(5)6/h13H,7-10,17H2,1-6H3
InChIKeyVHFQVUZJROQTOG-UHFFFAOYSA-N
MW300.88 g/mol
LogP2.72
Rot. Bonds7

About 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine

1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine (PubChem CID 79062885) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
PubChem CID79062885
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC Name1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
SMILESCCc1nn(CC)c(CC(N)C(C)(CC)N(C)C)c1Cl
InChIInChI=1S/C15H29ClN4/c1-7-11-14(16)12(20(9-3)18-11)10-13(17)15(4,8-2)19(5)6/h13H,7-10,17H2,1-6H3
InChIKeyVHFQVUZJROQTOG-UHFFFAOYSA-N
XLogP2.72
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine?
The IUPAC name of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine (CID 79062885) is 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine?
The canonical SMILES for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine is CCc1nn(CC)c(CC(N)C(C)(CC)N(C)C)c1Cl.
What is the InChIKey of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine?
The InChIKey is VHFQVUZJROQTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN4/c1-7-11-14(16)12(20(9-3)18-11)10-13(17)15(4,8-2)19(5)6/h13H,7-10,17H2,1-6H3.
What are the key properties of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine?
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine has a molecular weight of 300.88 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine is sourced from PubChem (CID 79062885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).