2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C17H29N5O2 — CID 86790184

IUPAC2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2ccc(NCC3(C)CCOCC3)n2)CC1
InChIInChI=1S/C17H29N5O2/c1-17(4-11-24-12-5-17)14-18-15-3-6-22(19-15)13-16(23)21-9-7-20(2)8-10-21/h3,6H,4-5,7-14H2,1-2H3,(H,18,19)
InChIKeyRBNMFPMZMPQIGU-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.89
Rot. Bonds5

About 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 86790184) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID86790184
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2ccc(NCC3(C)CCOCC3)n2)CC1
InChIInChI=1S/C17H29N5O2/c1-17(4-11-24-12-5-17)14-18-15-3-6-22(19-15)13-16(23)21-9-7-20(2)8-10-21/h3,6H,4-5,7-14H2,1-2H3,(H,18,19)
InChIKeyRBNMFPMZMPQIGU-UHFFFAOYSA-N
XLogP0.89
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methyl-1H-pyrazol-3-yl)acetamide
CID 91837080
4-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxane-4-carboxamide
CID 120936549
1-(3-Cyclopropylmorpholin-4-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethanone
CID 137841252
2,2-dimethyl-N-{1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 42243597
2,2-dimethyl-N-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-3-yl}propanamide
CID 146087434
2-(4-acetylpiperazin-1-yl)-N-(1-cyclohexylpyrazol-3-yl)acetamide
CID 57705485
Ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate
CID 46800822
2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide
CID 53499360
N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 54921208
2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 86790184) is 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cn2ccc(NCC3(C)CCOCC3)n2)CC1.
What is the InChIKey of 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is RBNMFPMZMPQIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(4-11-24-12-5-17)14-18-15-3-6-22(19-15)13-16(23)21-9-7-20(2)8-10-21/h3,6H,4-5,7-14H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 335.45 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 86790184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).