N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C22H27N5O4 — CID 46587095

IUPACN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cnn3c(C)cc(C)nc23)ccc1OCCC(C)C
InChIInChI=1S/C22H27N5O4/c1-13(2)8-9-31-18-7-6-16(11-19(18)30-5)21(28)25-26-22(29)17-12-23-27-15(4)10-14(3)24-20(17)27/h6-7,10-13H,8-9H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyOIQODNKKQOHWQB-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.85
Rot. Bonds7

About N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 46587095) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID46587095
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC NameN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cnn3c(C)cc(C)nc23)ccc1OCCC(C)C
InChIInChI=1S/C22H27N5O4/c1-13(2)8-9-31-18-7-6-16(11-19(18)30-5)21(28)25-26-22(29)17-12-23-27-15(4)10-14(3)24-20(17)27/h6-7,10-13H,8-9H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyOIQODNKKQOHWQB-UHFFFAOYSA-N
XLogP2.85
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440606
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55789038
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20952848
N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 24627420
3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 17339553
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 72689752
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804

Frequently Asked Questions

What is the IUPAC name of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 46587095) is N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cnn3c(C)cc(C)nc23)ccc1OCCC(C)C.
What is the InChIKey of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is OIQODNKKQOHWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-13(2)8-9-31-18-7-6-16(11-19(18)30-5)21(28)25-26-22(29)17-12-23-27-15(4)10-14(3)24-20(17)27/h6-7,10-13H,8-9H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 425.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 46587095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).