N-butyl-5-methyl-1H-pyrazol-3-amine

C8H15N3 — CID 21106594

IUPACN-butyl-5-methyl-1H-pyrazol-3-amine
SMILESCCCCNc1cc(C)[nH]n1
InChIInChI=1S/C8H15N3/c1-3-4-5-9-8-6-7(2)10-11-8/h6H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyWLWKVBVFXPYULV-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.93
Rot. Bonds4

About N-butyl-5-methyl-1H-pyrazol-3-amine

N-butyl-5-methyl-1H-pyrazol-3-amine (PubChem CID 21106594) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-butyl-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-butyl-5-methyl-1H-pyrazol-3-amine
PubChem CID21106594
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-butyl-5-methyl-1H-pyrazol-3-amine
SMILESCCCCNc1cc(C)[nH]n1
InChIInChI=1S/C8H15N3/c1-3-4-5-9-8-6-7(2)10-11-8/h6H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyWLWKVBVFXPYULV-UHFFFAOYSA-N
XLogP1.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of N-butyl-5-methyl-1H-pyrazol-3-amine (CID 21106594) is N-butyl-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-butyl-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N-butyl-5-methyl-1H-pyrazol-3-amine is CCCCNc1cc(C)[nH]n1.
What is the InChIKey of N-butyl-5-methyl-1H-pyrazol-3-amine?
The InChIKey is WLWKVBVFXPYULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-9-8-6-7(2)10-11-8/h6H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of N-butyl-5-methyl-1H-pyrazol-3-amine?
N-butyl-5-methyl-1H-pyrazol-3-amine has a molecular weight of 153.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 21106594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).