N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine

C8H15N3 — CID 82877898

IUPACN-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCNCCCc1ccn(C)n1
InChIInChI=1S/C8H15N3/c1-9-6-3-4-8-5-7-11(2)10-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyRDYIQFNSLUXSRO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.57
Rot. Bonds4

About N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine

N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 82877898) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID82877898
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCNCCCc1ccn(C)n1
InChIInChI=1S/C8H15N3/c1-9-6-3-4-8-5-7-11(2)10-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyRDYIQFNSLUXSRO-UHFFFAOYSA-N
XLogP0.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82878363
3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105433576
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063
1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
CID 82870874
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
CID 82870752
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]but-2-en-1-amine
CID 106104491
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
CID 82870522
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 82877898) is N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine is CNCCCc1ccn(C)n1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is RDYIQFNSLUXSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-9-6-3-4-8-5-7-11(2)10-8/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 82877898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).