(2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium

C20H25F2N4O5+ — CID 143263331

IUPAC(2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2[NH2+]C(=O)c2c(OC)ccc(F)c2F)CC1
InChIInChI=1S/C20H24F2N4O5/c1-29-10-31-12-5-3-11(4-6-12)24-20(28)18-14(9-23-26-18)25-19(27)16-15(30-2)8-7-13(21)17(16)22/h7-9,11-12H,3-6,10H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/p+1
InChIKeyVMNWDPIFKSDQDA-UHFFFAOYSA-O
MW439.44 g/mol
LogP1.39
Rot. Bonds8

About (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium

(2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium (PubChem CID 143263331) has the molecular formula C20H25F2N4O5+ and a molecular weight of 439.44 g/mol. Its IUPAC name is (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium.

Molecular Properties

Compound Name(2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium
PubChem CID143263331
Molecular FormulaC20H25F2N4O5+
Molecular Weight439.44 g/mol
Exact Mass439.18
IUPAC Name(2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2[NH2+]C(=O)c2c(OC)ccc(F)c2F)CC1
InChIInChI=1S/C20H24F2N4O5/c1-29-10-31-12-5-3-11(4-6-12)24-20(28)18-14(9-23-26-18)25-19(27)16-15(30-2)8-7-13(21)17(16)22/h7-9,11-12H,3-6,10H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/p+1
InChIKeyVMNWDPIFKSDQDA-UHFFFAOYSA-O
XLogP1.39
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 160503573
(2-chloro-3,6-difluorobenzoyl)-[5-[4-[4-(methoxymethoxy)cyclohexyl]butanoyl]-1H-pyrazol-4-yl]azanium
CID 143263268
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
4-[(2-chloro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862803
N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162148706
4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 59862773
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide
CID 118714251
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 66978495

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium?
The IUPAC name of (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium (CID 143263331) is (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium.
What is the SMILES notation for (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium?
The canonical SMILES for (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium is COCOC1CCC(NC(=O)c2[nH]ncc2[NH2+]C(=O)c2c(OC)ccc(F)c2F)CC1.
What is the InChIKey of (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium?
The InChIKey is VMNWDPIFKSDQDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24F2N4O5/c1-29-10-31-12-5-3-11(4-6-12)24-20(28)18-14(9-23-26-18)25-19(27)16-15(30-2)8-7-13(21)17(16)22/h7-9,11-12H,3-6,10H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/p+1.
What are the key properties of (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium?
(2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium has a molecular weight of 439.44 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-6-methoxybenzoyl)-[5-[[4-(methoxymethoxy)cyclohexyl]carbamoyl]-1H-pyrazol-4-yl]azanium is sourced from PubChem (CID 143263331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).