4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

C13H21BrN4O2 — CID 19476649

IUPAC4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H21BrN4O2/c1-2-18-12(11(14)10-16-18)13(19)15-4-3-5-17-6-8-20-9-7-17/h10H,2-9H2,1H3,(H,15,19)
InChIKeyRHZDNIMUAMQWQL-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.12
Rot. Bonds6

About 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (PubChem CID 19476649) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
PubChem CID19476649
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC Name4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H21BrN4O2/c1-2-18-12(11(14)10-16-18)13(19)15-4-3-5-17-6-8-20-9-7-17/h10H,2-9H2,1H3,(H,15,19)
InChIKeyRHZDNIMUAMQWQL-UHFFFAOYSA-N
XLogP1.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
Ethyl 4-{[(4-bromo-1-methylpyrazol-3-yl)carbonylamino]thioxomethyl}piperazinec arboxylate
CID 1114512
4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
(4-Bromo-2-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 4391269
4-Bromo-N,N,1-triethyl-1H-pyrazole-5-carboxamide
CID 4770548
(4-Amino-2-methyl-2H-pyrazol-3-yl)-morpholin-4-yl-methanone
CID 739809
3-bromo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 118048223
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
CID 19267516

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (CID 19476649) is 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The InChIKey is RHZDNIMUAMQWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-2-18-12(11(14)10-16-18)13(19)15-4-3-5-17-6-8-20-9-7-17/h10H,2-9H2,1H3,(H,15,19).
What are the key properties of 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19476649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).