2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone

C15H20N4O — CID 71110359

IUPAC2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone
SMILESCC(C)Nc1cc(C(=O)CN(C)c2ccccc2)[nH]n1
InChIInChI=1S/C15H20N4O/c1-11(2)16-15-9-13(17-18-15)14(20)10-19(3)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H2,16,17,18)
InChIKeyIBPHTZQUAQKQTF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds6

About 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone

2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone (PubChem CID 71110359) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone
PubChem CID71110359
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone
SMILESCC(C)Nc1cc(C(=O)CN(C)c2ccccc2)[nH]n1
InChIInChI=1S/C15H20N4O/c1-11(2)16-15-9-13(17-18-15)14(20)10-19(3)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H2,16,17,18)
InChIKeyIBPHTZQUAQKQTF-UHFFFAOYSA-N
XLogP2.55
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone?
The IUPAC name of 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone (CID 71110359) is 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone?
The canonical SMILES for 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone is CC(C)Nc1cc(C(=O)CN(C)c2ccccc2)[nH]n1.
What is the InChIKey of 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone?
The InChIKey is IBPHTZQUAQKQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)16-15-9-13(17-18-15)14(20)10-19(3)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone?
2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone is sourced from PubChem (CID 71110359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).