N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C14H17N5O3 — CID 119099714

IUPACN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cnn(CC2CCCCO2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H17N5O3/c20-13-5-4-12(17-18-13)14(21)16-10-7-15-19(8-10)9-11-3-1-2-6-22-11/h4-5,7-8,11H,1-3,6,9H2,(H,16,21)(H,18,20)
InChIKeyIBCLPRVMPXZGEO-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.79
Rot. Bonds4

About N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 119099714) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID119099714
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cnn(CC2CCCCO2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H17N5O3/c20-13-5-4-12(17-18-13)14(21)16-10-7-15-19(8-10)9-11-3-1-2-6-22-11/h4-5,7-8,11H,1-3,6,9H2,(H,16,21)(H,18,20)
InChIKeyIBCLPRVMPXZGEO-UHFFFAOYSA-N
XLogP0.79
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 129355510
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911590
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 121016949
3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355863
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 119099714) is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1cnn(CC2CCCCO2)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is IBCLPRVMPXZGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-13-5-4-12(17-18-13)14(21)16-10-7-15-19(8-10)9-11-3-1-2-6-22-11/h4-5,7-8,11H,1-3,6,9H2,(H,16,21)(H,18,20).
What are the key properties of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 119099714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).