N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide

C23H29N5O4S — CID 24962638

IUPACN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3cc(OCc4cc(OC)cc(OC)c4)n[nH]3)s2)CC1
InChIInChI=1S/C23H29N5O4S/c1-4-27-7-9-28(10-8-27)22-6-5-19(33-22)23(29)24-20-14-21(26-25-20)32-15-16-11-17(30-2)13-18(12-16)31-3/h5-6,11-14H,4,7-10,15H2,1-3H3,(H2,24,25,26,29)
InChIKeyVOXIVECESPVFBW-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.46
Rot. Bonds9

About N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide

N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide (PubChem CID 24962638) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide
PubChem CID24962638
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC NameN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3cc(OCc4cc(OC)cc(OC)c4)n[nH]3)s2)CC1
InChIInChI=1S/C23H29N5O4S/c1-4-27-7-9-28(10-8-27)22-6-5-19(33-22)23(29)24-20-14-21(26-25-20)32-15-16-11-17(30-2)13-18(12-16)31-3/h5-6,11-14H,4,7-10,15H2,1-3H3,(H2,24,25,26,29)
InChIKeyVOXIVECESPVFBW-UHFFFAOYSA-N
XLogP3.46
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide (CID 24962638) is N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3cc(OCc4cc(OC)cc(OC)c4)n[nH]3)s2)CC1.
What is the InChIKey of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide?
The InChIKey is VOXIVECESPVFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-4-27-7-9-28(10-8-27)22-6-5-19(33-22)23(29)24-20-14-21(26-25-20)32-15-16-11-17(30-2)13-18(12-16)31-3/h5-6,11-14H,4,7-10,15H2,1-3H3,(H2,24,25,26,29).
What are the key properties of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide?
N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24962638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).