1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide

C20H27BrN4O2 — CID 42944288

IUPAC1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CN(CC(C)C)CCO2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C20H27BrN4O2/c1-14(2)12-24-8-9-27-18(13-24)10-22-20(26)19-11-23-25(15(19)3)17-6-4-16(21)5-7-17/h4-7,11,14,18H,8-10,12-13H2,1-3H3,(H,22,26)
InChIKeyIVQPLPGHZPKPFG-UHFFFAOYSA-N
MW435.37 g/mol
LogP3.03
Rot. Bonds6

About 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide

1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 42944288) has the molecular formula C20H27BrN4O2 and a molecular weight of 435.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID42944288
Molecular FormulaC20H27BrN4O2
Molecular Weight435.37 g/mol
Exact Mass434.13
IUPAC Name1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CN(CC(C)C)CCO2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C20H27BrN4O2/c1-14(2)12-24-8-9-27-18(13-24)10-22-20(26)19-11-23-25(15(19)3)17-6-4-16(21)5-7-17/h4-7,11,14,18H,8-10,12-13H2,1-3H3,(H,22,26)
InChIKeyIVQPLPGHZPKPFG-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 43051952
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427210
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide
CID 78856717
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
CID 47013454
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide (CID 42944288) is 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC2CN(CC(C)C)CCO2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is IVQPLPGHZPKPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN4O2/c1-14(2)12-24-8-9-27-18(13-24)10-22-20(26)19-11-23-25(15(19)3)17-6-4-16(21)5-7-17/h4-7,11,14,18H,8-10,12-13H2,1-3H3,(H,22,26).
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide?
1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 435.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42944288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).