N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide

C18H18N4O2 — CID 167781776

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCN(C)C(=O)Cn1ccc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C18H18N4O2/c1-21(2)17(23)12-22-11-10-16(20-22)19-18(24)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,12H2,1-2H3,(H,19,20,24)
InChIKeyCRFVAUZRPMDPJH-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.38
Rot. Bonds4

About N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide

N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 167781776) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID167781776
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCN(C)C(=O)Cn1ccc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C18H18N4O2/c1-21(2)17(23)12-22-11-10-16(20-22)19-18(24)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,12H2,1-2H3,(H,19,20,24)
InChIKeyCRFVAUZRPMDPJH-UHFFFAOYSA-N
XLogP2.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide
CID 167926582
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167841166
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 166183392
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 167807945
2-chloro-5-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394839
N-(1-methylpyrrol-2-yl)naphthalene-1-carboxamide
CID 132933719

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide (CID 167781776) is N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide is CN(C)C(=O)Cn1ccc(NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is CRFVAUZRPMDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21(2)17(23)12-22-11-10-16(20-22)19-18(24)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,12H2,1-2H3,(H,19,20,24).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167781776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).