N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide

C20H23N5O2 — CID 125173964

IUPACN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide
SMILESCOc1nccnc1-c1cccc(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C20H23N5O2/c1-12-17(13(2)24-23-12)14(3)25(4)20(26)16-8-6-7-15(11-16)18-19(27-5)22-10-9-21-18/h6-11,14H,1-5H3,(H,23,24)/t14-/m0/s1
InChIKeyCGZNROGUWVEEHI-AWEZNQCLSA-N
MW365.44 g/mol
LogP3.33
Rot. Bonds5

About N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide

N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide (PubChem CID 125173964) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide
PubChem CID125173964
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide
SMILESCOc1nccnc1-c1cccc(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C20H23N5O2/c1-12-17(13(2)24-23-12)14(3)25(4)20(26)16-8-6-7-15(11-16)18-19(27-5)22-10-9-21-18/h6-11,14H,1-5H3,(H,23,24)/t14-/m0/s1
InChIKeyCGZNROGUWVEEHI-AWEZNQCLSA-N
XLogP3.33
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide?
The IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide (CID 125173964) is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide?
The canonical SMILES for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide is COc1nccnc1-c1cccc(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c1.
What is the InChIKey of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide?
The InChIKey is CGZNROGUWVEEHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-17(13(2)24-23-12)14(3)25(4)20(26)16-8-6-7-15(11-16)18-19(27-5)22-10-9-21-18/h6-11,14H,1-5H3,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide?
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide has a molecular weight of 365.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide is sourced from PubChem (CID 125173964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).