N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C14H20N4O2 — CID 64557740

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C14H20N4O2/c1-4-14(2,10-19)16-12(20)11-9-15-17(3)13(11)18-7-5-6-8-18/h5-9,19H,4,10H2,1-3H3,(H,16,20)
InChIKeySRPHBRDPNWLCQO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.10
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 64557740) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID64557740
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C14H20N4O2/c1-4-14(2,10-19)16-12(20)11-9-15-17(3)13(11)18-7-5-6-8-18/h5-9,19H,4,10H2,1-3H3,(H,16,20)
InChIKeySRPHBRDPNWLCQO-UHFFFAOYSA-N
XLogP1.10
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 64671878
N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 103772991
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38028641
1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38105120
N-(4-acetylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053385
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86822466
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789
1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60618949

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 64557740) is N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CCC(C)(CO)NC(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is SRPHBRDPNWLCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-14(2,10-19)16-12(20)11-9-15-17(3)13(11)18-7-5-6-8-18/h5-9,19H,4,10H2,1-3H3,(H,16,20).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 64557740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).