5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine

C16H24N4O — CID 66027633

IUPAC5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H24N4O/c1-5-10-20-16(15(17)12(2)18-20)19(3)11-13-6-8-14(21-4)9-7-13/h6-9H,5,10-11,17H2,1-4H3
InChIKeyMECDELNBFMVDRT-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.83
Rot. Bonds6

About 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine

5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (PubChem CID 66027633) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
PubChem CID66027633
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H24N4O/c1-5-10-20-16(15(17)12(2)18-20)19(3)11-13-6-8-14(21-4)9-7-13/h6-9H,5,10-11,17H2,1-4H3
InChIKeyMECDELNBFMVDRT-UHFFFAOYSA-N
XLogP2.83
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (CID 66027633) is 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The InChIKey is MECDELNBFMVDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-10-20-16(15(17)12(2)18-20)19(3)11-13-6-8-14(21-4)9-7-13/h6-9H,5,10-11,17H2,1-4H3.
What are the key properties of 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66027633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).