N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine

C14H25N3 — CID 79598749

IUPACN-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
SMILESCCCn1cc(C(C)=CCCNC(C)C)cn1
InChIInChI=1S/C14H25N3/c1-5-9-17-11-14(10-16-17)13(4)7-6-8-15-12(2)3/h7,10-12,15H,5-6,8-9H2,1-4H3
InChIKeyNKKPTBUYJLCSAG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.08
Rot. Bonds7

About N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine

N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine (PubChem CID 79598749) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
PubChem CID79598749
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
SMILESCCCn1cc(C(C)=CCCNC(C)C)cn1
InChIInChI=1S/C14H25N3/c1-5-9-17-11-14(10-16-17)13(4)7-6-8-15-12(2)3/h7,10-12,15H,5-6,8-9H2,1-4H3
InChIKeyNKKPTBUYJLCSAG-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.08
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-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79607971
4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine
CID 79598869
1-[2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid
CID 162751377
4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
CID 104940642
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 107058743
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone
CID 105082191
(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine
CID 103573881

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine?
The IUPAC name of N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine (CID 79598749) is N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine?
The canonical SMILES for N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine is CCCn1cc(C(C)=CCCNC(C)C)cn1.
What is the InChIKey of N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine?
The InChIKey is NKKPTBUYJLCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-9-17-11-14(10-16-17)13(4)7-6-8-15-12(2)3/h7,10-12,15H,5-6,8-9H2,1-4H3.
What are the key properties of N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine?
N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine is sourced from PubChem (CID 79598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).