4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine

C13H18N4 — CID 103009787

IUPAC4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
SMILESCn1nccc1CCC(N)Cc1cccnc1
InChIInChI=1S/C13H18N4/c1-17-13(6-8-16-17)5-4-12(14)9-11-3-2-7-15-10-11/h2-3,6-8,10,12H,4-5,9,14H2,1H3
InChIKeyTUHURQLVMCSSDW-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.32
Rot. Bonds5

About 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine

4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine (PubChem CID 103009787) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
PubChem CID103009787
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
SMILESCn1nccc1CCC(N)Cc1cccnc1
InChIInChI=1S/C13H18N4/c1-17-13(6-8-16-17)5-4-12(14)9-11-3-2-7-15-10-11/h2-3,6-8,10,12H,4-5,9,14H2,1H3
InChIKeyTUHURQLVMCSSDW-UHFFFAOYSA-N
XLogP1.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
CID 114553831
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine (CID 103009787) is 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine is Cn1nccc1CCC(N)Cc1cccnc1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine?
The InChIKey is TUHURQLVMCSSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17-13(6-8-16-17)5-4-12(14)9-11-3-2-7-15-10-11/h2-3,6-8,10,12H,4-5,9,14H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine?
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine has a molecular weight of 230.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 103009787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).