N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H24N4O3 — CID 50985154

IUPACN-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)[nH]n2)c(NC(=O)C(C)C)c1
InChIInChI=1S/C18H24N4O3/c1-10(2)14-9-16(22-21-14)18(24)19-13-7-6-12(25-5)8-15(13)20-17(23)11(3)4/h6-11H,1-5H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyKMBZUSAEEYHYNA-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.39
Rot. Bonds6

About N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 50985154) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID50985154
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)[nH]n2)c(NC(=O)C(C)C)c1
InChIInChI=1S/C18H24N4O3/c1-10(2)14-9-16(22-21-14)18(24)19-13-7-6-12(25-5)8-15(13)20-17(23)11(3)4/h6-11H,1-5H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyKMBZUSAEEYHYNA-UHFFFAOYSA-N
XLogP3.39
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 50985154) is N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C(C)C)[nH]n2)c(NC(=O)C(C)C)c1.
What is the InChIKey of N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KMBZUSAEEYHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-10(2)14-9-16(22-21-14)18(24)19-13-7-6-12(25-5)8-15(13)20-17(23)11(3)4/h6-11H,1-5H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 50985154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).