(2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid

C21H23N5O3 — CID 67322474

IUPAC(2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid
SMILESCC1CC1CN(C(=O)O)c1cccc(Cc2nn(-c3cnn(C)c3)ccc2=O)c1
InChIInChI=1S/C21H23N5O3/c1-14-8-16(14)12-25(21(28)29)17-5-3-4-15(9-17)10-19-20(27)6-7-26(23-19)18-11-22-24(2)13-18/h3-7,9,11,13-14,16H,8,10,12H2,1-2H3,(H,28,29)
InChIKeyUQBCDJHUMDHUJL-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.70
Rot. Bonds6

About (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid

(2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid (PubChem CID 67322474) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid.

Molecular Properties

Compound Name(2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid
PubChem CID67322474
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name(2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid
SMILESCC1CC1CN(C(=O)O)c1cccc(Cc2nn(-c3cnn(C)c3)ccc2=O)c1
InChIInChI=1S/C21H23N5O3/c1-14-8-16(14)12-25(21(28)29)17-5-3-4-15(9-17)10-19-20(27)6-7-26(23-19)18-11-22-24(2)13-18/h3-7,9,11,13-14,16H,8,10,12H2,1-2H3,(H,28,29)
InChIKeyUQBCDJHUMDHUJL-UHFFFAOYSA-N
XLogP2.70
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid 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

[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]-(piperidin-4-ylmethyl)carbamic acid
CID 70871543
(3-hydroxy-3-methylbutyl)-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid
CID 67339468
2-methylpropyl-[3-[[1-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid
CID 67340235
N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 152765423
2-methylpropyl-[3-[[1-[1-(2-methylpropyl)pyrazol-4-yl]-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid
CID 67338909
2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide
CID 53307260
tert-butyl-[2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]pyrimidin-5-yl]carbamic acid
CID 67321539
2-methylpropyl-[3-[[4-oxo-1-[1-(oxolan-3-yl)pyrazol-4-yl]pyridazin-3-yl]methyl]phenyl]carbamic acid
CID 70871548
2-hydroxyethyl 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate
CID 162142791
1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one
CID 53308325
N-methyl-2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]pyrimidine-5-carboxamide
CID 67325997
[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid
CID 70871584

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid?
The IUPAC name of (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid (CID 67322474) is (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid.
What is the SMILES notation for (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid?
The canonical SMILES for (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid is CC1CC1CN(C(=O)O)c1cccc(Cc2nn(-c3cnn(C)c3)ccc2=O)c1.
What is the InChIKey of (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid?
The InChIKey is UQBCDJHUMDHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14-8-16(14)12-25(21(28)29)17-5-3-4-15(9-17)10-19-20(27)6-7-26(23-19)18-11-22-24(2)13-18/h3-7,9,11,13-14,16H,8,10,12H2,1-2H3,(H,28,29).
What are the key properties of (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid?
(2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid has a molecular weight of 393.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)methyl-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamic acid is sourced from PubChem (CID 67322474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).