3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine

C13H18N4 — CID 64777550

IUPAC3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCCC(C)n1ccc(Cc2cccnc2N)n1
InChIInChI=1S/C13H18N4/c1-3-10(2)17-8-6-12(16-17)9-11-5-4-7-15-13(11)14/h4-8,10H,3,9H2,1-2H3,(H2,14,15)
InChIKeyAIKGMJGJCPDPAE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.42
Rot. Bonds4

About 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine

3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine (PubChem CID 64777550) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
PubChem CID64777550
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCCC(C)n1ccc(Cc2cccnc2N)n1
InChIInChI=1S/C13H18N4/c1-3-10(2)17-8-6-12(16-17)9-11-5-4-7-15-13(11)14/h4-8,10H,3,9H2,1-2H3,(H2,14,15)
InChIKeyAIKGMJGJCPDPAE-UHFFFAOYSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 64777549
3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106678525
2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine
CID 64779032
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105154650
3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55116433
[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951901
4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 64784161
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine
CID 79592685
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444581
2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983158

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine (CID 64777550) is 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine is CCC(C)n1ccc(Cc2cccnc2N)n1.
What is the InChIKey of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is AIKGMJGJCPDPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-10(2)17-8-6-12(16-17)9-11-5-4-7-15-13(11)14/h4-8,10H,3,9H2,1-2H3,(H2,14,15).
What are the key properties of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine?
3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 64777550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).