N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

C19H21N5O — CID 167968162

IUPACN-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCn1nc(CNC(=O)Cc2cnn(-c3ccccc3)c2)c2c1CCC2
InChIInChI=1S/C19H21N5O/c1-23-18-9-5-8-16(18)17(22-23)12-20-19(25)10-14-11-21-24(13-14)15-6-3-2-4-7-15/h2-4,6-7,11,13H,5,8-10,12H2,1H3,(H,20,25)
InChIKeyTWMOGUXOSJMFHN-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.95
Rot. Bonds5

About N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 167968162) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID167968162
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCn1nc(CNC(=O)Cc2cnn(-c3ccccc3)c2)c2c1CCC2
InChIInChI=1S/C19H21N5O/c1-23-18-9-5-8-16(18)17(22-23)12-20-19(25)10-14-11-21-24(13-14)15-6-3-2-4-7-15/h2-4,6-7,11,13H,5,8-10,12H2,1H3,(H,20,25)
InChIKeyTWMOGUXOSJMFHN-UHFFFAOYSA-N
XLogP1.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 167968162) is N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is Cn1nc(CNC(=O)Cc2cnn(-c3ccccc3)c2)c2c1CCC2.
What is the InChIKey of N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is TWMOGUXOSJMFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-18-9-5-8-16(18)17(22-23)12-20-19(25)10-14-11-21-24(13-14)15-6-3-2-4-7-15/h2-4,6-7,11,13H,5,8-10,12H2,1H3,(H,20,25).
What are the key properties of N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 167968162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).