N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine

C15H27N3 — CID 79607971

IUPACN-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
SMILESCCCn1cc(C(C)=CCCNC(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-6-10-18-12-14(11-17-18)13(2)8-7-9-16-15(3,4)5/h8,11-12,16H,6-7,9-10H2,1-5H3
InChIKeyZDMXEFNNRDMLBW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.47
Rot. Bonds6

About N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine

N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine (PubChem CID 79607971) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
PubChem CID79607971
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
SMILESCCCn1cc(C(C)=CCCNC(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-6-10-18-12-14(11-17-18)13(2)8-7-9-16-15(3,4)5/h8,11-12,16H,6-7,9-10H2,1-5H3
InChIKeyZDMXEFNNRDMLBW-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.47
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

N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79598749
4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine
CID 79598869
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79054130
N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
CID 79607279
2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 116592872
3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532589
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79055851
4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116555498
2-(azepan-1-yl)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79052724

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine (CID 79607971) is N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine is CCCn1cc(C(C)=CCCNC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine?
The InChIKey is ZDMXEFNNRDMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-10-18-12-14(11-17-18)13(2)8-7-9-16-15(3,4)5/h8,11-12,16H,6-7,9-10H2,1-5H3.
What are the key properties of N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine?
N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine is sourced from PubChem (CID 79607971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).