N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C17H28N4O2 — CID 71925440

IUPACN-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)CCCn1ccc(NC(=O)C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C17H28N4O2/c1-16(2)14(17(16,3)4)15(23)18-12-9-11-21(19-12)10-7-8-13(22)20(5)6/h9,11,14H,7-8,10H2,1-6H3,(H,18,19,23)
InChIKeyRWAPAEKRSNEHRS-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.37
Rot. Bonds6

About N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 71925440) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID71925440
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)CCCn1ccc(NC(=O)C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C17H28N4O2/c1-16(2)14(17(16,3)4)15(23)18-12-9-11-21(19-12)10-7-8-13(22)20(5)6/h9,11,14H,7-8,10H2,1-6H3,(H,18,19,23)
InChIKeyRWAPAEKRSNEHRS-UHFFFAOYSA-N
XLogP2.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-1-methyl-3-[1-(3-methylbutyl)pyrazol-3-yl]urea
CID 97080822
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-[(1-methylpyrazol-3-yl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 163299087
1,1,1,3,3,3-hexafluoropropan-2-yl (2S)-2-[(1-methylpyrazol-3-yl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 164772551
1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-[(1-methylpyrazol-3-yl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 164772654
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CID 176349362
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CID 16622020
N-methyl-N'-(1-methylpyrazol-3-yl)hexadecanediamide
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CID 75475931
5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 71925440) is N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CN(C)C(=O)CCCn1ccc(NC(=O)C2C(C)(C)C2(C)C)n1.
What is the InChIKey of N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is RWAPAEKRSNEHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-16(2)14(17(16,3)4)15(23)18-12-9-11-21(19-12)10-7-8-13(22)20(5)6/h9,11,14H,7-8,10H2,1-6H3,(H,18,19,23).
What are the key properties of N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 71925440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).