N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide

C19H21N5O2 — CID 98407291

IUPACN-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C19H21N5O2/c1-4-26-16-13-24(15-8-6-5-7-9-15)22-18(16)19(25)21-14-10-11-17(20-12-14)23(2)3/h5-13H,4H2,1-3H3,(H,21,25)
InChIKeyBAYHTADMAPNVIX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.98
Rot. Bonds6

About N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide

N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 98407291) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide
PubChem CID98407291
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C19H21N5O2/c1-4-26-16-13-24(15-8-6-5-7-9-15)22-18(16)19(25)21-14-10-11-17(20-12-14)23(2)3/h5-13H,4H2,1-3H3,(H,21,25)
InChIKeyBAYHTADMAPNVIX-UHFFFAOYSA-N
XLogP2.98
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
CID 42109731
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 98393412
N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283989
N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
CID 30295210
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 42109714
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
CID 60941938
4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide
CID 30272395
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide (CID 98407291) is N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide is CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is BAYHTADMAPNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-26-16-13-24(15-8-6-5-7-9-15)22-18(16)19(25)21-14-10-11-17(20-12-14)23(2)3/h5-13H,4H2,1-3H3,(H,21,25).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide?
N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 98407291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).