1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine

C23H36ClN3 — CID 143316566

IUPAC1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine
SMILESCCCN(CCC)c1cc(C(C)CC(C)C)n(Cc2cc(Cl)ccc2C)n1
InChIInChI=1S/C23H36ClN3/c1-7-11-26(12-8-2)23-15-22(19(6)13-17(3)4)27(25-23)16-20-14-21(24)10-9-18(20)5/h9-10,14-15,17,19H,7-8,11-13,16H2,1-6H3
InChIKeyFFEDLMFJOHTKRU-UHFFFAOYSA-N
MW390.02 g/mol
LogP6.67
Rot. Bonds10

About 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine

1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine (PubChem CID 143316566) has the molecular formula C23H36ClN3 and a molecular weight of 390.02 g/mol. Its IUPAC name is 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine
PubChem CID143316566
Molecular FormulaC23H36ClN3
Molecular Weight390.02 g/mol
Exact Mass389.26
IUPAC Name1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine
SMILESCCCN(CCC)c1cc(C(C)CC(C)C)n(Cc2cc(Cl)ccc2C)n1
InChIInChI=1S/C23H36ClN3/c1-7-11-26(12-8-2)23-15-22(19(6)13-17(3)4)27(25-23)16-20-14-21(24)10-9-18(20)5/h9-10,14-15,17,19H,7-8,11-13,16H2,1-6H3
InChIKeyFFEDLMFJOHTKRU-UHFFFAOYSA-N
XLogP6.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.02
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine?
The IUPAC name of 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine (CID 143316566) is 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine.
What is the SMILES notation for 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine?
The canonical SMILES for 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine is CCCN(CCC)c1cc(C(C)CC(C)C)n(Cc2cc(Cl)ccc2C)n1.
What is the InChIKey of 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine?
The InChIKey is FFEDLMFJOHTKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36ClN3/c1-7-11-26(12-8-2)23-15-22(19(6)13-17(3)4)27(25-23)16-20-14-21(24)10-9-18(20)5/h9-10,14-15,17,19H,7-8,11-13,16H2,1-6H3.
What are the key properties of 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine?
1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine has a molecular weight of 390.02 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methylphenyl)methyl]-5-(4-methylpentan-2-yl)-N,N-dipropylpyrazol-3-amine is sourced from PubChem (CID 143316566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).