1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

C15H21BrN6O2 — CID 19271704

IUPAC1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C15H21BrN6O2/c16-13-10-18-22(11-13)12-21-5-2-14(19-21)15(23)17-3-1-4-20-6-8-24-9-7-20/h2,5,10-11H,1,3-4,6-9,12H2,(H,17,23)
InChIKeyLKRRFGQQUSOYDU-UHFFFAOYSA-N
MW397.28 g/mol
LogP0.80
Rot. Bonds7

About 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 19271704) has the molecular formula C15H21BrN6O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID19271704
Molecular FormulaC15H21BrN6O2
Molecular Weight397.28 g/mol
Exact Mass396.09
IUPAC Name1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C15H21BrN6O2/c16-13-10-18-22(11-13)12-21-5-2-14(19-21)15(23)17-3-1-4-20-6-8-24-9-7-20/h2,5,10-11H,1,3-4,6-9,12H2,(H,17,23)
InChIKeyLKRRFGQQUSOYDU-UHFFFAOYSA-N
XLogP0.80
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
CID 19271904
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
1-(methoxymethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19270984
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273397
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
CID 19271719
1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 49487496
1-[(4-bromopyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19271925
3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 19561890
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 19549775

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 19271704) is 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccn(Cn2cc(Br)cn2)n1.
What is the InChIKey of 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is LKRRFGQQUSOYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN6O2/c16-13-10-18-22(11-13)12-21-5-2-14(19-21)15(23)17-3-1-4-20-6-8-24-9-7-20/h2,5,10-11H,1,3-4,6-9,12H2,(H,17,23).
What are the key properties of 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).