N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide

C21H24N4O3 — CID 167926582

IUPACN-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccn(CCCC(=O)N(C)C)n2)c2ccccc12
InChIInChI=1S/C21H24N4O3/c1-24(2)20(26)9-6-13-25-14-12-19(23-25)22-21(27)17-10-11-18(28-3)16-8-5-4-7-15(16)17/h4-5,7-8,10-12,14H,6,9,13H2,1-3H3,(H,22,23,27)
InChIKeyRUDJUJRVBXIVJZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.17
Rot. Bonds7

About N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide

N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide (PubChem CID 167926582) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide
PubChem CID167926582
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccn(CCCC(=O)N(C)C)n2)c2ccccc12
InChIInChI=1S/C21H24N4O3/c1-24(2)20(26)9-6-13-25-14-12-19(23-25)22-21(27)17-10-11-18(28-3)16-8-5-4-7-15(16)17/h4-5,7-8,10-12,14H,6,9,13H2,1-3H3,(H,22,23,27)
InChIKeyRUDJUJRVBXIVJZ-UHFFFAOYSA-N
XLogP3.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167781776
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19407129
1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide
CID 167845276
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide
CID 75380848
5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
CID 35286166
4-methoxy-N-(5-piperidin-1-yl-2-pyridinyl)naphthalene-1-carboxamide
CID 112827556
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
N-(2-chlorophenyl)-4-methoxynaphthalene-1-carboxamide
CID 110169740
1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 19277188
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide?
The IUPAC name of N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide (CID 167926582) is N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide is COc1ccc(C(=O)Nc2ccn(CCCC(=O)N(C)C)n2)c2ccccc12.
What is the InChIKey of N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide?
The InChIKey is RUDJUJRVBXIVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24(2)20(26)9-6-13-25-14-12-19(23-25)22-21(27)17-10-11-18(28-3)16-8-5-4-7-15(16)17/h4-5,7-8,10-12,14H,6,9,13H2,1-3H3,(H,22,23,27).
What are the key properties of N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide?
N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide is sourced from PubChem (CID 167926582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).