N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine

C8H16N4 — CID 91550949

IUPACN-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine
SMILESCNCCCCNc1ccn[nH]1
InChIInChI=1S/C8H16N4/c1-9-5-2-3-6-10-8-4-7-11-12-8/h4,7,9H,2-3,5-6H2,1H3,(H2,10,11,12)
InChIKeyUXENVLDKASJDDB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.82
Rot. Bonds6

About N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine

N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine (PubChem CID 91550949) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine
PubChem CID91550949
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine
SMILESCNCCCCNc1ccn[nH]1
InChIInChI=1S/C8H16N4/c1-9-5-2-3-6-10-8-4-7-11-12-8/h4,7,9H,2-3,5-6H2,1H3,(H2,10,11,12)
InChIKeyUXENVLDKASJDDB-UHFFFAOYSA-N
XLogP0.82
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1H-pyrazol-3-amine
CID 14818493
N-Methyl-1H-pyrazol-5-amine
CID 22265630
N-ethyl-1-methyl-1H-pyrazol-3-amine
CID 60809330
N-(2-Aminoethyl)-1-methyl-1H-pyrazol-3-amine
CID 84076076
2-(3-methylbutyl)-1H-pyrazol-2-ium-3-amine
CID 16276554
N-1H-Pyrazol-3-ylthiourea
CID 2771004
3-Dimethylamino-pyrazole
CID 13496871
Piperidino-pyrazole
CID 21416212
Pyrazolyl piperazine
CID 21427013
N,N-diethyl-1H-pyrazol-5-amine
CID 57421378
Bis(pyrazolyl)amine
CID 66972632
Pyrrolidinopyrazole
CID 70010191

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine?
The IUPAC name of N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine (CID 91550949) is N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine.
What is the SMILES notation for N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine?
The canonical SMILES for N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine is CNCCCCNc1ccn[nH]1.
What is the InChIKey of N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine?
The InChIKey is UXENVLDKASJDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-9-5-2-3-6-10-8-4-7-11-12-8/h4,7,9H,2-3,5-6H2,1H3,(H2,10,11,12).
What are the key properties of N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine?
N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine has a molecular weight of 168.24 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(1H-pyrazol-5-yl)butane-1,4-diamine is sourced from PubChem (CID 91550949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).