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

C15H21FN4 — CID 66028752

IUPAC5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1cccc(F)c1
InChIInChI=1S/C15H21FN4/c1-4-8-20-15(14(17)11(2)18-20)19(3)10-12-6-5-7-13(16)9-12/h5-7,9H,4,8,10,17H2,1-3H3
InChIKeyWIQMQIJGAXZEOC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.96
Rot. Bonds5

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

5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (PubChem CID 66028752) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
PubChem CID66028752
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1cccc(F)c1
InChIInChI=1S/C15H21FN4/c1-4-8-20-15(14(17)11(2)18-20)19(3)10-12-6-5-7-13(16)9-12/h5-7,9H,4,8,10,17H2,1-3H3
InChIKeyWIQMQIJGAXZEOC-UHFFFAOYSA-N
XLogP2.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66027246
5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66027633
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66027619
5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028842
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029760
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
CID 66029209
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613
5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine
CID 66029003
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (CID 66028752) is 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)Cc1cccc(F)c1.
What is the InChIKey of 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The InChIKey is WIQMQIJGAXZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-4-8-20-15(14(17)11(2)18-20)19(3)10-12-6-5-7-13(16)9-12/h5-7,9H,4,8,10,17H2,1-3H3.
What are the key properties of 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine has a molecular weight of 276.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66028752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).