(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine

C15H26BrN3 — CID 114666338

IUPAC(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H26BrN3/c1-11(2)9-17-8-6-7-13(5)15-14(16)10-18-19(15)12(3)4/h7,10-12,17H,6,8-9H2,1-5H3/b13-7-
InChIKeyFNJIWSFTIXEDPH-QPEQYQDCSA-N
MW328.30 g/mol
LogP4.27
Rot. Bonds7

About (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine

(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 114666338) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID114666338
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H26BrN3/c1-11(2)9-17-8-6-7-13(5)15-14(16)10-18-19(15)12(3)4/h7,10-12,17H,6,8-9H2,1-5H3/b13-7-
InChIKeyFNJIWSFTIXEDPH-QPEQYQDCSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.27
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

(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666324
(Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666318
(Z)-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666323
N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)propyl]-2-methylpropan-1-amine
CID 114664018
(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114666344
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(propylamino)ethanone
CID 114668866
N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
CID 104940657
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455630
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114670019
(E)-4-(4-bromo-1-ethylpyrazol-5-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114666268
5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine
CID 79606820
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-iodothiophen-3-yl)methanone
CID 115805479

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine (CID 114666338) is (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine is C/C(=C/CCNCC(C)C)c1c(Br)cnn1C(C)C.
What is the InChIKey of (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is FNJIWSFTIXEDPH-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-11(2)9-17-8-6-7-13(5)15-14(16)10-18-19(15)12(3)4/h7,10-12,17H,6,8-9H2,1-5H3/b13-7-.
What are the key properties of (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 328.30 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 114666338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).