N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine

C8H15N3 — CID 131219708

IUPACN-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1[nH]ncc1C
InChIInChI=1S/C8H15N3/c1-3-4-9-6-8-7(2)5-10-11-8/h5,9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyCXFKUANYRBAFQZ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.22
Rot. Bonds4

About N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine

N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine (PubChem CID 131219708) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine
PubChem CID131219708
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1[nH]ncc1C
InChIInChI=1S/C8H15N3/c1-3-4-9-6-8-7(2)5-10-11-8/h5,9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyCXFKUANYRBAFQZ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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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Related Compounds

5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 112732597
5-(ethoxymethyl)-4-methyl-1H-pyrazole
CID 166123228
4-methyl-5-(2-methylpropyl)-1H-pyrazole
CID 3805989
N-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79484745
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 130948462
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine
CID 131160274
N-[[1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204176
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine (CID 131219708) is N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine is CCCNCc1[nH]ncc1C.
What is the InChIKey of N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is CXFKUANYRBAFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-9-6-8-7(2)5-10-11-8/h5,9H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine?
N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 131219708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).