N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide

C16H25N3O — CID 170264573

IUPACN-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide
SMILESC=C(/C=C\CCC)NC(=O)Cn1cc(C(C)C)c(C)n1
InChIInChI=1S/C16H25N3O/c1-6-7-8-9-13(4)17-16(20)11-19-10-15(12(2)3)14(5)18-19/h8-10,12H,4,6-7,11H2,1-3,5H3,(H,17,20)/b9-8-
InChIKeyRTPXQDCIEYMYKD-HJWRWDBZSA-N
MW275.40 g/mol
LogP3.30
Rot. Bonds7

About N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide

N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide (PubChem CID 170264573) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide
PubChem CID170264573
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide
SMILESC=C(/C=C\CCC)NC(=O)Cn1cc(C(C)C)c(C)n1
InChIInChI=1S/C16H25N3O/c1-6-7-8-9-13(4)17-16(20)11-19-10-15(12(2)3)14(5)18-19/h8-10,12H,4,6-7,11H2,1-3,5H3,(H,17,20)/b9-8-
InChIKeyRTPXQDCIEYMYKD-HJWRWDBZSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide
CID 53015602
N-cyclopropyl-2-(3-propan-2-ylpyrazol-1-yl)acetamide
CID 71846689
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide
CID 97258467
N-(tert-butyl)-2-(4-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)acetamide
CID 122161919
2-[4-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 168139851
N-(4,4-difluorocyclohexyl)-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide
CID 168140118
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924247
N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 102914804
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112549292
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112550394
2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53532028
2-(3-Tert-butylpyrazol-1-yl)acetamide
CID 58574026

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide (CID 170264573) is N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide is C=C(/C=C\CCC)NC(=O)Cn1cc(C(C)C)c(C)n1.
What is the InChIKey of N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide?
The InChIKey is RTPXQDCIEYMYKD-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-7-8-9-13(4)17-16(20)11-19-10-15(12(2)3)14(5)18-19/h8-10,12H,4,6-7,11H2,1-3,5H3,(H,17,20)/b9-8-.
What are the key properties of N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide?
N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hepta-1,3-dien-2-yl]-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 170264573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).