N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide

C19H25N7O2 — CID 121440221

IUPACN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C19H25N7O2/c1-5-24(12-13-26-22-14(2)16(23-26)19(3,4)28)18(27)15-8-6-9-20-17(15)25-11-7-10-21-25/h6-11,28H,5,12-13H2,1-4H3
InChIKeyQAVIDJLBOCZDIB-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.56
Rot. Bonds7

About N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide

N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 121440221) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID121440221
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C19H25N7O2/c1-5-24(12-13-26-22-14(2)16(23-26)19(3,4)28)18(27)15-8-6-9-20-17(15)25-11-7-10-21-25/h6-11,28H,5,12-13H2,1-4H3
InChIKeyQAVIDJLBOCZDIB-UHFFFAOYSA-N
XLogP1.56
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide (CID 121440221) is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide is CCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1-n1cccn1.
What is the InChIKey of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is QAVIDJLBOCZDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-5-24(12-13-26-22-14(2)16(23-26)19(3,4)28)18(27)15-8-6-9-20-17(15)25-11-7-10-21-25/h6-11,28H,5,12-13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 121440221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).