1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine

C12H19N5 — CID 64799954

IUPAC1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
SMILESCCC(CC)n1ccc(Cn2cc(N)cn2)n1
InChIInChI=1S/C12H19N5/c1-3-12(4-2)17-6-5-11(15-17)9-16-8-10(13)7-14-16/h5-8,12H,3-4,9,13H2,1-2H3
InChIKeyPKTFHDJMRQZSIB-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.07
Rot. Bonds5

About 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 64799954) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
PubChem CID64799954
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
SMILESCCC(CC)n1ccc(Cn2cc(N)cn2)n1
InChIInChI=1S/C12H19N5/c1-3-12(4-2)17-6-5-11(15-17)9-16-8-10(13)7-14-16/h5-8,12H,3-4,9,13H2,1-2H3
InChIKeyPKTFHDJMRQZSIB-UHFFFAOYSA-N
XLogP2.07
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol
CID 64778509
N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine
CID 64777533
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359509
1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
CID 64779775
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64771770
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64778903
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105136
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 103825944
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
[1-(1-methylpyrazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105228507

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine (CID 64799954) is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine is CCC(CC)n1ccc(Cn2cc(N)cn2)n1.
What is the InChIKey of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is PKTFHDJMRQZSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-12(4-2)17-6-5-11(15-17)9-16-8-10(13)7-14-16/h5-8,12H,3-4,9,13H2,1-2H3.
What are the key properties of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine?
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 64799954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).