N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C15H22N4O2 — CID 103772991

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(C)(C)CCO)c1-n1cccc1
InChIInChI=1S/C15H22N4O2/c1-15(2,6-9-20)11-16-13(21)12-10-17-18(3)14(12)19-7-4-5-8-19/h4-5,7-8,10,20H,6,9,11H2,1-3H3,(H,16,21)
InChIKeyYDAABBWLRXQXPO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.35
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 103772991) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID103772991
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(C)(C)CCO)c1-n1cccc1
InChIInChI=1S/C15H22N4O2/c1-15(2,6-9-20)11-16-13(21)12-10-17-18(3)14(12)19-7-4-5-8-19/h4-5,7-8,10,20H,6,9,11H2,1-3H3,(H,16,21)
InChIKeyYDAABBWLRXQXPO-UHFFFAOYSA-N
XLogP1.35
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809080
1-Methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
CID 2809082
1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38026625
N,N-diethyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53581339
1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 47150749
1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethoxy)pyrazole-4-carboxamide
CID 81343339
1-methyl-5-pyrrol-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole-4-carboxamide
CID 86930566
1-methyl-5-pyrrol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730669
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 103769901
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 104857110
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 107482758
[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 109884467

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 103772991) is N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCC(C)(C)CCO)c1-n1cccc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is YDAABBWLRXQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,6-9-20)11-16-13(21)12-10-17-18(3)14(12)19-7-4-5-8-19/h4-5,7-8,10,20H,6,9,11H2,1-3H3,(H,16,21).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 103772991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).