N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide

C19H25N5O3 — CID 97133649

IUPACN-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCOc1ccc(-n2ncc([C@H](C)NC(=O)CN3CCNC(=O)C3)c2C)cc1
InChIInChI=1S/C19H25N5O3/c1-13(22-19(26)12-23-9-8-20-18(25)11-23)17-10-21-24(14(17)2)15-4-6-16(27-3)7-5-15/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,25)(H,22,26)/t13-/m0/s1
InChIKeyLWMQXNLXYRBCTQ-ZDUSSCGKSA-N
MW371.44 g/mol
LogP0.80
Rot. Bonds6

About N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 97133649) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID97133649
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCOc1ccc(-n2ncc([C@H](C)NC(=O)CN3CCNC(=O)C3)c2C)cc1
InChIInChI=1S/C19H25N5O3/c1-13(22-19(26)12-23-9-8-20-18(25)11-23)17-10-21-24(14(17)2)15-4-6-16(27-3)7-5-15/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,25)(H,22,26)/t13-/m0/s1
InChIKeyLWMQXNLXYRBCTQ-ZDUSSCGKSA-N
XLogP0.80
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8709816
2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 97114066
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55592695
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549120
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 42955226
1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 38221139
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729024

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 97133649) is N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide is COc1ccc(-n2ncc([C@H](C)NC(=O)CN3CCNC(=O)C3)c2C)cc1.
What is the InChIKey of N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is LWMQXNLXYRBCTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13(22-19(26)12-23-9-8-20-18(25)11-23)17-10-21-24(14(17)2)15-4-6-16(27-3)7-5-15/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,25)(H,22,26)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 97133649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).