(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide

C14H18N6O — CID 124721747

IUPAC(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccnn1)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C14H18N6O/c21-14(15-10-12-4-3-6-16-19-12)20-7-2-1-5-13(20)11-8-17-18-9-11/h3-4,6,8-9,13H,1-2,5,7,10H2,(H,15,21)(H,17,18)/t13-/m1/s1
InChIKeyAHUQRERFVVPJPH-CYBMUJFWSA-N
MW286.34 g/mol
LogP1.64
Rot. Bonds3

About (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide

(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 124721747) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID124721747
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccnn1)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C14H18N6O/c21-14(15-10-12-4-3-6-16-19-12)20-7-2-1-5-13(20)11-8-17-18-9-11/h3-4,6,8-9,13H,1-2,5,7,10H2,(H,15,21)(H,17,18)/t13-/m1/s1
InChIKeyAHUQRERFVVPJPH-CYBMUJFWSA-N
XLogP1.64
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 127774583
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597428
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 154754412
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521633
(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99852891
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86789916
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide (CID 124721747) is (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cccnn1)N1CCCC[C@@H]1c1cn[nH]c1.
What is the InChIKey of (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is AHUQRERFVVPJPH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(15-10-12-4-3-6-16-19-12)20-7-2-1-5-13(20)11-8-17-18-9-11/h3-4,6,8-9,13H,1-2,5,7,10H2,(H,15,21)(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide?
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124721747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).