N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide

C13H17N5O — CID 60971845

IUPACN-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cn[nH]c2)cn1
InChIInChI=1S/C13H17N5O/c1-3-18(4-2)12-6-5-11(9-14-12)17-13(19)10-7-15-16-8-10/h5-9H,3-4H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyQCHKFJNDPJMWPP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.90
Rot. Bonds5

About N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide

N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide (PubChem CID 60971845) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
PubChem CID60971845
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cn[nH]c2)cn1
InChIInChI=1S/C13H17N5O/c1-3-18(4-2)12-6-5-11(9-14-12)17-13(19)10-7-15-16-8-10/h5-9H,3-4H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyQCHKFJNDPJMWPP-UHFFFAOYSA-N
XLogP1.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 48650816
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
N-[5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 155010090
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
CID 47243914
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
CID 55844663
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
CID 113012579
N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55784088

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide (CID 60971845) is N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cn[nH]c2)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QCHKFJNDPJMWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18(4-2)12-6-5-11(9-14-12)17-13(19)10-7-15-16-8-10/h5-9H,3-4H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide?
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60971845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).