1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine

C12H19N3 — CID 105179535

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)c1cnn(C)c1C
InChIInChI=1S/C12H19N3/c1-5-6-7-8-12(13-3)11-9-14-15(4)10(11)2/h1,9,12-13H,6-8H2,2-4H3
InChIKeyPWQQSGWWQPNRLV-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.79
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine

1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine (PubChem CID 105179535) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
PubChem CID105179535
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)c1cnn(C)c1C
InChIInChI=1S/C12H19N3/c1-5-6-7-8-12(13-3)11-9-14-15(4)10(11)2/h1,9,12-13H,6-8H2,2-4H3
InChIKeyPWQQSGWWQPNRLV-UHFFFAOYSA-N
XLogP1.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
CID 102804405
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine
CID 105033708
2-(3,4-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105136491
2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105100937
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152645
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 105131039
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
CID 105181368
1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine
CID 105168496
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
CID 82903143
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine (CID 105179535) is 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine is C#CCCCC(NC)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine?
The InChIKey is PWQQSGWWQPNRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-6-7-8-12(13-3)11-9-14-15(4)10(11)2/h1,9,12-13H,6-8H2,2-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine?
1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine is sourced from PubChem (CID 105179535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).