N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide

C19H21N5O2 — CID 23143796

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)CO)nn2-c2cccnc2)nc1
InChIInChI=1S/C19H21N5O2/c1-13-6-7-15(21-10-13)17-9-16(18(26)22-19(2,3)12-25)23-24(17)14-5-4-8-20-11-14/h4-11,25H,12H2,1-3H3,(H,22,26)
InChIKeyDLOVQHLOUJXDFX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.14
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 23143796) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID23143796
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)CO)nn2-c2cccnc2)nc1
InChIInChI=1S/C19H21N5O2/c1-13-6-7-15(21-10-13)17-9-16(18(26)22-19(2,3)12-25)23-24(17)14-5-4-8-20-11-14/h4-11,25H,12H2,1-3H3,(H,22,26)
InChIKeyDLOVQHLOUJXDFX-UHFFFAOYSA-N
XLogP2.14
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide (CID 23143796) is N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)(C)CO)nn2-c2cccnc2)nc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is DLOVQHLOUJXDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-6-7-15(21-10-13)17-9-16(18(26)22-19(2,3)12-25)23-24(17)14-5-4-8-20-11-14/h4-11,25H,12H2,1-3H3,(H,22,26).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 23143796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).