N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide

C18H24N4O3 — CID 71873821

IUPACN-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1cccc(-n2cc(O)c(C(=O)NCCC(=O)N(C)C)n2)c1
InChIInChI=1S/C18H24N4O3/c1-12(2)13-6-5-7-14(10-13)22-11-15(23)17(20-22)18(25)19-9-8-16(24)21(3)4/h5-7,10-12,23H,8-9H2,1-4H3,(H,19,25)
InChIKeyYNYMKIGIRFVYPT-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.91
Rot. Bonds6

About N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 71873821) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID71873821
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1cccc(-n2cc(O)c(C(=O)NCCC(=O)N(C)C)n2)c1
InChIInChI=1S/C18H24N4O3/c1-12(2)13-6-5-7-14(10-13)22-11-15(23)17(20-22)18(25)19-9-8-16(24)21(3)4/h5-7,10-12,23H,8-9H2,1-4H3,(H,19,25)
InChIKeyYNYMKIGIRFVYPT-UHFFFAOYSA-N
XLogP1.91
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 71873821) is N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide is CC(C)c1cccc(-n2cc(O)c(C(=O)NCCC(=O)N(C)C)n2)c1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is YNYMKIGIRFVYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)13-6-5-7-14(10-13)22-11-15(23)17(20-22)18(25)19-9-8-16(24)21(3)4/h5-7,10-12,23H,8-9H2,1-4H3,(H,19,25).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71873821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).