N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide

C16H17N3O2 — CID 60815935

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C16H17N3O2/c1-11-15(12(2)19-18-11)17-16(21)14-8-6-13(7-9-14)5-3-4-10-20/h6-9,20H,4,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyJTDFAVMNDBGDNS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.01
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 60815935) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide
PubChem CID60815935
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C16H17N3O2/c1-11-15(12(2)19-18-11)17-16(21)14-8-6-13(7-9-14)5-3-4-10-20/h6-9,20H,4,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyJTDFAVMNDBGDNS-UHFFFAOYSA-N
XLogP2.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 60822064
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81460066
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817307
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62168366
N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-carboxamide
CID 62168367
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 79684581
ethyl 2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 60816874
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 21369028
N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 107595297

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide (CID 60815935) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide is Cc1n[nH]c(C)c1NC(=O)c1ccc(C#CCCO)cc1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is JTDFAVMNDBGDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-15(12(2)19-18-11)17-16(21)14-8-6-13(7-9-14)5-3-4-10-20/h6-9,20H,4,10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 60815935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).