N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C15H22N4O2 — CID 107202135

IUPACN-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(CCCCCO)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C15H22N4O2/c1-17(8-4-3-7-11-20)15(21)13-12-16-18(2)14(13)19-9-5-6-10-19/h5-6,9-10,12,20H,3-4,7-8,11H2,1-2H3
InChIKeyRYJPNMGOAHJBOQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.45
Rot. Bonds7

About N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 107202135) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID107202135
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(CCCCCO)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C15H22N4O2/c1-17(8-4-3-7-11-20)15(21)13-12-16-18(2)14(13)19-9-5-6-10-19/h5-6,9-10,12,20H,3-4,7-8,11H2,1-2H3
InChIKeyRYJPNMGOAHJBOQ-UHFFFAOYSA-N
XLogP1.45
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-1h-pyrazole-4-carbonyl fluoride
CID 58724547
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161369
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161370
(1-Methyl-5-pyrrol-1-ylpyrazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45806677
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

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 107202135) is N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CN(CCCCCO)C(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is RYJPNMGOAHJBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17(8-4-3-7-11-20)15(21)13-12-16-18(2)14(13)19-9-5-6-10-19/h5-6,9-10,12,20H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 107202135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).