formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol

C18H21N5O2 — CID 145228703

IUPACformamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol
SMILESCNc1c(C)c(-c2ccnc(CO)c2)nn1-c1ccccc1.NC=O
InChIInChI=1S/C17H18N4O.CH3NO/c1-12-16(13-8-9-19-14(10-13)11-22)20-21(17(12)18-2)15-6-4-3-5-7-15;2-1-3/h3-10,18,22H,11H2,1-2H3;1H,(H2,2,3)
InChIKeyIOSBSQZOVSLQIJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.88
Rot. Bonds4

About formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol

formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol (PubChem CID 145228703) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Nameformamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol
PubChem CID145228703
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Nameformamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol
SMILESCNc1c(C)c(-c2ccnc(CO)c2)nn1-c1ccccc1.NC=O
InChIInChI=1S/C17H18N4O.CH3NO/c1-12-16(13-8-9-19-14(10-13)11-22)20-21(17(12)18-2)15-6-4-3-5-7-15;2-1-3/h3-10,18,22H,11H2,1-2H3;1H,(H2,2,3)
InChIKeyIOSBSQZOVSLQIJ-UHFFFAOYSA-N
XLogP1.88
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol?
The IUPAC name of formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol (CID 145228703) is formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol is CNc1c(C)c(-c2ccnc(CO)c2)nn1-c1ccccc1.NC=O.
What is the InChIKey of formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol?
The InChIKey is IOSBSQZOVSLQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.CH3NO/c1-12-16(13-8-9-19-14(10-13)11-22)20-21(17(12)18-2)15-6-4-3-5-7-15;2-1-3/h3-10,18,22H,11H2,1-2H3;1H,(H2,2,3).
What are the key properties of formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol?
formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol has a molecular weight of 339.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 145228703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).