1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine

C14H20N4 — CID 63310416

IUPAC1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine
SMILESCc1ccccc1N(C)CCCn1ccc(N)n1
InChIInChI=1S/C14H20N4/c1-12-6-3-4-7-13(12)17(2)9-5-10-18-11-8-14(15)16-18/h3-4,6-8,11H,5,9-10H2,1-2H3,(H2,15,16)
InChIKeySOYFZNHPHHMQIF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds5

About 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine

1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine (PubChem CID 63310416) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine
PubChem CID63310416
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine
SMILESCc1ccccc1N(C)CCCn1ccc(N)n1
InChIInChI=1S/C14H20N4/c1-12-6-3-4-7-13(12)17(2)9-5-10-18-11-8-14(15)16-18/h3-4,6-8,11H,5,9-10H2,1-2H3,(H2,15,16)
InChIKeySOYFZNHPHHMQIF-UHFFFAOYSA-N
XLogP2.30
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine
CID 63310337
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545
1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine
CID 63310356
1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one
CID 63310974
1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310407
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
CID 63318061
3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
CID 63310595
3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 69433807

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine (CID 63310416) is 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine is Cc1ccccc1N(C)CCCn1ccc(N)n1.
What is the InChIKey of 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine?
The InChIKey is SOYFZNHPHHMQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12-6-3-4-7-13(12)17(2)9-5-10-18-11-8-14(15)16-18/h3-4,6-8,11H,5,9-10H2,1-2H3,(H2,15,16).
What are the key properties of 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine?
1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine has a molecular weight of 244.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine is sourced from PubChem (CID 63310416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).