N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C18H21N5O2 — CID 19509893

IUPACN-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)n1
InChIInChI=1S/C18H21N5O2/c1-4-23-9-8-15(22-23)12(2)19-18(24)17-11-16(20-21-17)13-6-5-7-14(10-13)25-3/h5-12H,4H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyBDCLSJLPPTZTBI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds6

About N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509893) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509893
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)n1
InChIInChI=1S/C18H21N5O2/c1-4-23-9-8-15(22-23)12(2)19-18(24)17-11-16(20-21-17)13-6-5-7-14(10-13)25-3/h5-12H,4H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyBDCLSJLPPTZTBI-UHFFFAOYSA-N
XLogP2.79
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509735
3-(3-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 70750427
N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854181
N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97145627
N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134548
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670
N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509714
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97154885
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
N-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515494

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19509893) is N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCn1ccc(C(C)NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)n1.
What is the InChIKey of N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BDCLSJLPPTZTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-23-9-8-15(22-23)12(2)19-18(24)17-11-16(20-21-17)13-6-5-7-14(10-13)25-3/h5-12H,4H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).