1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine

C12H19N3 — CID 65198238

IUPAC1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccn(C)n1
InChIInChI=1S/C12H19N3/c1-4-6-7-11(13-9-5-2)12-8-10-15(3)14-12/h8,10-11,13H,5,7,9H2,1-3H3
InChIKeyKOPRQLAUKYWQKR-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.87
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine

1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine (PubChem CID 65198238) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
PubChem CID65198238
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccn(C)n1
InChIInChI=1S/C12H19N3/c1-4-6-7-11(13-9-5-2)12-8-10-15(3)14-12/h8,10-11,13H,5,7,9H2,1-3H3
InChIKeyKOPRQLAUKYWQKR-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 65200857
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
CID 114474920
N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 83174760
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine
CID 103374699
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 103035714
N-propyl-1-quinolin-2-ylpent-3-yn-1-amine
CID 63222561
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65197614

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine (CID 65198238) is 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)c1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine?
The InChIKey is KOPRQLAUKYWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-6-7-11(13-9-5-2)12-8-10-15(3)14-12/h8,10-11,13H,5,7,9H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine?
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 65198238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).