N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide

C21H25N5O3 — CID 167773289

IUPACN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide
SMILESCOc1cccc2cccc(C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)c12
InChIInChI=1S/C21H25N5O3/c1-25(2)11-10-22-19(27)14-26-13-16(12-23-26)24-21(28)17-8-4-6-15-7-5-9-18(29-3)20(15)17/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,27)(H,24,28)
InChIKeyHZVMILVFCUCFCF-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.98
Rot. Bonds8

About N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide

N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide (PubChem CID 167773289) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide
PubChem CID167773289
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide
SMILESCOc1cccc2cccc(C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)c12
InChIInChI=1S/C21H25N5O3/c1-25(2)11-10-22-19(27)14-26-13-16(12-23-26)24-21(28)17-8-4-6-15-7-5-9-18(29-3)20(15)17/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,27)(H,24,28)
InChIKeyHZVMILVFCUCFCF-UHFFFAOYSA-N
XLogP1.98
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167831048
3-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954060
2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide
CID 120597193
N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 126462403
6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167754395
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017726
methyl 2-[4-[(3-chloro-2-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 99843425
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167960825
4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119333445
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide (CID 167773289) is N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide is COc1cccc2cccc(C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)c12.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide?
The InChIKey is HZVMILVFCUCFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-25(2)11-10-22-19(27)14-26-13-16(12-23-26)24-21(28)17-8-4-6-15-7-5-9-18(29-3)20(15)17/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,27)(H,24,28).
What are the key properties of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide?
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide is sourced from PubChem (CID 167773289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).