N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

C18H25N5O2 — CID 2620928

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C18H25N5O2/c1-13-18(14(2)21-20-13)19-17(24)12-22-8-10-23(11-9-22)15-6-4-5-7-16(15)25-3/h4-7H,8-12H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyHXJARSHIXAZJNW-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.80
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2620928) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID2620928
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C18H25N5O2/c1-13-18(14(2)21-20-13)19-17(24)12-22-8-10-23(11-9-22)15-6-4-5-7-16(15)25-3/h4-7H,8-12H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyHXJARSHIXAZJNW-UHFFFAOYSA-N
XLogP1.80
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 2620928) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccccc1N1CCN(CC(=O)Nc2c(C)n[nH]c2C)CC1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is HXJARSHIXAZJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-18(14(2)21-20-13)19-17(24)12-22-8-10-23(11-9-22)15-6-4-5-7-16(15)25-3/h4-7H,8-12H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2620928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).