N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide

C16H22N4O — CID 103818567

IUPACN-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
SMILESCCCn1cc(CNc2ccccc2CC(=O)NC)cn1
InChIInChI=1S/C16H22N4O/c1-3-8-20-12-13(11-19-20)10-18-15-7-5-4-6-14(15)9-16(21)17-2/h4-7,11-12,18H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyPJSJYRPONNBUJR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.19
Rot. Bonds7

About N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide

N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 103818567) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
PubChem CID103818567
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
SMILESCCCn1cc(CNc2ccccc2CC(=O)NC)cn1
InChIInChI=1S/C16H22N4O/c1-3-8-20-12-13(11-19-20)10-18-15-7-5-4-6-14(15)9-16(21)17-2/h4-7,11-12,18H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyPJSJYRPONNBUJR-UHFFFAOYSA-N
XLogP2.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571450
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
CID 64830564
N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 103825560
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 103818614
methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate
CID 103571443
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile
CID 103571361
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide (CID 103818567) is N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide is CCCn1cc(CNc2ccccc2CC(=O)NC)cn1.
What is the InChIKey of N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is PJSJYRPONNBUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-8-20-12-13(11-19-20)10-18-15-7-5-4-6-14(15)9-16(21)17-2/h4-7,11-12,18H,3,8-10H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide?
N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 103818567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).