N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide

C19H25ClN4O2 — CID 122568828

IUPACN-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide
SMILESCc1cc(C)n(C2CN(C(=O)NCc3cc(Cl)ccc3OC(C)C)C2)n1
InChIInChI=1S/C19H25ClN4O2/c1-12(2)26-18-6-5-16(20)8-15(18)9-21-19(25)23-10-17(11-23)24-14(4)7-13(3)22-24/h5-8,12,17H,9-11H2,1-4H3,(H,21,25)
InChIKeyCQAFMMWKXQXBRQ-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.71
Rot. Bonds5

About N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide

N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide (PubChem CID 122568828) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide
PubChem CID122568828
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide
SMILESCc1cc(C)n(C2CN(C(=O)NCc3cc(Cl)ccc3OC(C)C)C2)n1
InChIInChI=1S/C19H25ClN4O2/c1-12(2)26-18-6-5-16(20)8-15(18)9-21-19(25)23-10-17(11-23)24-14(4)7-13(3)22-24/h5-8,12,17H,9-11H2,1-4H3,(H,21,25)
InChIKeyCQAFMMWKXQXBRQ-UHFFFAOYSA-N
XLogP3.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide (CID 122568828) is N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide is Cc1cc(C)n(C2CN(C(=O)NCc3cc(Cl)ccc3OC(C)C)C2)n1.
What is the InChIKey of N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide?
The InChIKey is CQAFMMWKXQXBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-12(2)26-18-6-5-16(20)8-15(18)9-21-19(25)23-10-17(11-23)24-14(4)7-13(3)22-24/h5-8,12,17H,9-11H2,1-4H3,(H,21,25).
What are the key properties of N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide?
N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 122568828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).