N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H21N5O — CID 37393007

IUPACN-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCCn1cccn1
InChIInChI=1S/C14H21N5O/c1-11-13(12(2)18(3)17-11)10-14(20)15-6-4-8-19-9-5-7-16-19/h5,7,9H,4,6,8,10H2,1-3H3,(H,15,20)
InChIKeyDVQUKZAILBVHOQ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.98
Rot. Bonds6

About N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 37393007) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID37393007
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCCn1cccn1
InChIInChI=1S/C14H21N5O/c1-11-13(12(2)18(3)17-11)10-14(20)15-6-4-8-19-9-5-7-16-19/h5,7,9H,4,6,8,10H2,1-3H3,(H,15,20)
InChIKeyDVQUKZAILBVHOQ-UHFFFAOYSA-N
XLogP0.98
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethyl-1H-pyrazol-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1235974
N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6889397
N-({5-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70760448
N-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19575943
1-(3-Pyrazol-1-ylpiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 53561981
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 53564627
1-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 53610483
1-[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 53627295
N-({5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70744034
1-[(1-Propan-2-ylpyrazol-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71989902
4-Pyrazol-1-yl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 72044190
2-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 72148301

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 37393007) is N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCCCn1cccn1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is DVQUKZAILBVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-13(12(2)18(3)17-11)10-14(20)15-6-4-8-19-9-5-7-16-19/h5,7,9H,4,6,8,10H2,1-3H3,(H,15,20).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 275.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 37393007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).