N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide

C19H28N4O2 — CID 111524099

IUPACN-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide
SMILESCCC(CO)NC(=O)Cc1ccc(NCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C19H28N4O2/c1-5-16(12-24)21-19(25)10-15-6-8-17(9-7-15)20-11-18-13(2)22-23(4)14(18)3/h6-9,16,20,24H,5,10-12H2,1-4H3,(H,21,25)
InChIKeyVTTISIQAIWHFAV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.08
Rot. Bonds8

About N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide

N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 111524099) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide
PubChem CID111524099
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide
SMILESCCC(CO)NC(=O)Cc1ccc(NCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C19H28N4O2/c1-5-16(12-24)21-19(25)10-15-6-8-17(9-7-15)20-11-18-13(2)22-23(4)14(18)3/h6-9,16,20,24H,5,10-12H2,1-4H3,(H,21,25)
InChIKeyVTTISIQAIWHFAV-UHFFFAOYSA-N
XLogP2.08
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
CID 111778068
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
1-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722977
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38167692
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
CID 110025985
2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959378
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
2-N,2-N-dimethyl-5-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43690392

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide (CID 111524099) is N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide is CCC(CO)NC(=O)Cc1ccc(NCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is VTTISIQAIWHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-16(12-24)21-19(25)10-15-6-8-17(9-7-15)20-11-18-13(2)22-23(4)14(18)3/h6-9,16,20,24H,5,10-12H2,1-4H3,(H,21,25).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide?
N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 111524099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).