4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine

C8H15N3 — CID 82416782

IUPAC4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine
SMILESCc1cn[nH]c1CCC(C)N
InChIInChI=1S/C8H15N3/c1-6-5-10-11-8(6)4-3-7(2)9/h5,7H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyZKPWSVFUBRCFOP-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.00
Rot. Bonds3

About 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine

4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine (PubChem CID 82416782) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine
PubChem CID82416782
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine
SMILESCc1cn[nH]c1CCC(C)N
InChIInChI=1S/C8H15N3/c1-6-5-10-11-8(6)4-3-7(2)9/h5,7H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyZKPWSVFUBRCFOP-UHFFFAOYSA-N
XLogP1.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine?
The IUPAC name of 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine (CID 82416782) is 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine is Cc1cn[nH]c1CCC(C)N.
What is the InChIKey of 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine?
The InChIKey is ZKPWSVFUBRCFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-5-10-11-8(6)4-3-7(2)9/h5,7H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine?
4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine is sourced from PubChem (CID 82416782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).