3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide

C17H21N5O2 — CID 99830472

IUPAC3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)NCc2cn(-c3ccccc3)nc2C)C1
InChIInChI=1S/C17H21N5O2/c1-12-14(9-22(20-12)16-6-4-3-5-7-16)8-18-17(24)21-10-15(11-21)19-13(2)23/h3-7,9,15H,8,10-11H2,1-2H3,(H,18,24)(H,19,23)
InChIKeyAIAQISAWTGJGBZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.21
Rot. Bonds4

About 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide

3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide (PubChem CID 99830472) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide
PubChem CID99830472
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)NCc2cn(-c3ccccc3)nc2C)C1
InChIInChI=1S/C17H21N5O2/c1-12-14(9-22(20-12)16-6-4-3-5-7-16)8-18-17(24)21-10-15(11-21)19-13(2)23/h3-7,9,15H,8,10-11H2,1-2H3,(H,18,24)(H,19,23)
InChIKeyAIAQISAWTGJGBZ-UHFFFAOYSA-N
XLogP1.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
CID 99823863
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CID 99840232
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 112832270
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4-methyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 120510085
(2S)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]-3-phenylpropanoic acid
CID 99779368
1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110026737
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987
methyl (3-methyl-1-phenylpyrazol-4-yl) carbonate
CID 67453633
4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 122559335
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine
CID 110026754
methyl (E)-3-methoxy-2-[2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]phenyl]prop-2-enoate
CID 67680566

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide (CID 99830472) is 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide is CC(=O)NC1CN(C(=O)NCc2cn(-c3ccccc3)nc2C)C1.
What is the InChIKey of 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide?
The InChIKey is AIAQISAWTGJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-14(9-22(20-12)16-6-4-3-5-7-16)8-18-17(24)21-10-15(11-21)19-13(2)23/h3-7,9,15H,8,10-11H2,1-2H3,(H,18,24)(H,19,23).
What are the key properties of 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide?
3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 99830472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).