1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine

C14H18ClN3 — CID 103008961

IUPAC1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCn1nccc1CCC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-18-14(8-9-17-18)7-6-13(16)10-11-2-4-12(15)5-3-11/h2-5,8-9,13H,6-7,10,16H2,1H3
InChIKeyNXGKSSBPRUWMSU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine

1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103008961) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103008961
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCn1nccc1CCC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-18-14(8-9-17-18)7-6-13(16)10-11-2-4-12(15)5-3-11/h2-5,8-9,13H,6-7,10,16H2,1H3
InChIKeyNXGKSSBPRUWMSU-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole
CID 103018288
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
CID 114553831
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103008961) is 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine is Cn1nccc1CCC(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is NXGKSSBPRUWMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-18-14(8-9-17-18)7-6-13(16)10-11-2-4-12(15)5-3-11/h2-5,8-9,13H,6-7,10,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103008961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).