5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

C17H24N4O2 — CID 55742343

IUPAC5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2cccnc2OC(C)C)n[nH]1
InChIInChI=1S/C17H24N4O2/c1-11(2)8-14-9-15(21-20-14)16(22)19-10-13-6-5-7-18-17(13)23-12(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyYSNXVZWWQYLQOE-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.72
Rot. Bonds7

About 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 55742343) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID55742343
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2cccnc2OC(C)C)n[nH]1
InChIInChI=1S/C17H24N4O2/c1-11(2)8-14-9-15(21-20-14)16(22)19-10-13-6-5-7-18-17(13)23-12(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyYSNXVZWWQYLQOE-UHFFFAOYSA-N
XLogP2.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107249436
5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide
CID 87035340
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 81229055
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 71982662
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279
1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 55848445
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (CID 55742343) is 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCc2cccnc2OC(C)C)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YSNXVZWWQYLQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)8-14-9-15(21-20-14)16(22)19-10-13-6-5-7-18-17(13)23-12(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55742343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).