N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C16H21N5O2 — CID 84614081

IUPACN-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(N)cc2)c2c1CCN(CCO)C2
InChIInChI=1S/C16H21N5O2/c1-20-14-6-7-21(8-9-22)10-13(14)15(19-20)16(23)18-12-4-2-11(17)3-5-12/h2-5,22H,6-10,17H2,1H3,(H,18,23)
InChIKeyCFMLCGCUSSDQCJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.61
Rot. Bonds4

About N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 84614081) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID84614081
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(N)cc2)c2c1CCN(CCO)C2
InChIInChI=1S/C16H21N5O2/c1-20-14-6-7-21(8-9-22)10-13(14)15(19-20)16(23)18-12-4-2-11(17)3-5-12/h2-5,22H,6-10,17H2,1H3,(H,18,23)
InChIKeyCFMLCGCUSSDQCJ-UHFFFAOYSA-N
XLogP0.61
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 50831030
1-methyl-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389066
1-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389080
N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389093
N-benzyl-1-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162521
2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol
CID 83916771
N-benzyl-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223552
1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933303
1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018139
N-(3-bromo-4-methylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389094
N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 26396591
5-[4-[(2-fluorophenyl)methylamino]-4-oxobutanoyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018144

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 84614081) is N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(N)cc2)c2c1CCN(CCO)C2.
What is the InChIKey of N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is CFMLCGCUSSDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-14-6-7-21(8-9-22)10-13(14)15(19-20)16(23)18-12-4-2-11(17)3-5-12/h2-5,22H,6-10,17H2,1H3,(H,18,23).
What are the key properties of N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 84614081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).