N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide

C22H23N5O3 — CID 70775648

IUPACN-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(NC(=O)c3ccn(C)n3)c3c(OC(C)C)cccc32)cc1
InChIInChI=1S/C22H23N5O3/c1-14(2)30-19-7-5-6-18-20(19)21(23-22(28)17-12-13-26(3)24-17)25-27(18)15-8-10-16(29-4)11-9-15/h5-14H,1-4H3,(H,23,25,28)
InChIKeyAVHGOMKGYFNCHO-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.81
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide

N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 70775648) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID70775648
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(NC(=O)c3ccn(C)n3)c3c(OC(C)C)cccc32)cc1
InChIInChI=1S/C22H23N5O3/c1-14(2)30-19-7-5-6-18-20(19)21(23-22(28)17-12-13-26(3)24-17)25-27(18)15-8-10-16(29-4)11-9-15/h5-14H,1-4H3,(H,23,25,28)
InChIKeyAVHGOMKGYFNCHO-UHFFFAOYSA-N
XLogP3.81
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 167831436
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CID 19262447
(2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95897378
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CID 60572392
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 18152667
N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 70783675
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856055
(2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide (CID 70775648) is N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide is COc1ccc(-n2nc(NC(=O)c3ccn(C)n3)c3c(OC(C)C)cccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is AVHGOMKGYFNCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14(2)30-19-7-5-6-18-20(19)21(23-22(28)17-12-13-26(3)24-17)25-27(18)15-8-10-16(29-4)11-9-15/h5-14H,1-4H3,(H,23,25,28).
What are the key properties of N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-4-propan-2-yloxyindazol-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 70775648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).