N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride

C18H24ClN5O2 — CID 126785061

IUPACN-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1n[nH]c2c1CNCC2.Cl
InChIInChI=1S/C18H23N5O2.ClH/c1-3-23(4-2)18(25)12-7-5-6-8-14(12)20-17(24)16-13-11-19-10-9-15(13)21-22-16;/h5-8,19H,3-4,9-11H2,1-2H3,(H,20,24)(H,21,22);1H
InChIKeyDFPPTMPFZNHFFP-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride

N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 126785061) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID126785061
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC NameN-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1n[nH]c2c1CNCC2.Cl
InChIInChI=1S/C18H23N5O2.ClH/c1-3-23(4-2)18(25)12-7-5-6-8-14(12)20-17(24)16-13-11-19-10-9-15(13)21-22-16;/h5-8,19H,3-4,9-11H2,1-2H3,(H,20,24)(H,21,22);1H
InChIKeyDFPPTMPFZNHFFP-UHFFFAOYSA-N
XLogP2.21
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yloxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585410
N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585402
N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 50944244
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 126766167
N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585400
N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 86835504
N-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832173
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489161
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
CID 86835479
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585407
N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
CID 86835460

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride (CID 126785061) is N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride is CCN(CC)C(=O)c1ccccc1NC(=O)c1n[nH]c2c1CNCC2.Cl.
What is the InChIKey of N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is DFPPTMPFZNHFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.ClH/c1-3-23(4-2)18(25)12-7-5-6-8-14(12)20-17(24)16-13-11-19-10-9-15(13)21-22-16;/h5-8,19H,3-4,9-11H2,1-2H3,(H,20,24)(H,21,22);1H.
What are the key properties of N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride?
N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 377.88 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 126785061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).