N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide

C19H23N5O3 — CID 19340332

IUPACN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3cc(OC)cc(OC)c3)cn2)c1C
InChIInChI=1S/C19H23N5O3/c1-5-24-13(2)15(9-21-24)11-23-12-16(10-20-23)22-19(25)14-6-17(26-3)8-18(7-14)27-4/h6-10,12H,5,11H2,1-4H3,(H,22,25)
InChIKeyFYYRSADLSVFBDV-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.73
Rot. Bonds7

About N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide (PubChem CID 19340332) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
PubChem CID19340332
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3cc(OC)cc(OC)c3)cn2)c1C
InChIInChI=1S/C19H23N5O3/c1-5-24-13(2)15(9-21-24)11-23-12-16(10-20-23)22-19(25)14-6-17(26-3)8-18(7-14)27-4/h6-10,12H,5,11H2,1-4H3,(H,22,25)
InChIKeyFYYRSADLSVFBDV-UHFFFAOYSA-N
XLogP2.73
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide (CID 19340332) is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide is CCn1ncc(Cn2cc(NC(=O)c3cc(OC)cc(OC)c3)cn2)c1C.
What is the InChIKey of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide?
The InChIKey is FYYRSADLSVFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-5-24-13(2)15(9-21-24)11-23-12-16(10-20-23)22-19(25)14-6-17(26-3)8-18(7-14)27-4/h6-10,12H,5,11H2,1-4H3,(H,22,25).
What are the key properties of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide?
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide has a molecular weight of 369.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 19340332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).